SARX_STAA8 Loading...

HTH-type transcriptional regulator SarX

Involved in the regulation of virulence genes. Acts as a repressor of the agr locus and consequently targets genes regulated by the agr system such as sspA, hla and hlb. Binds directly to the agr promoter region.

AlphaFold DB , UniProt , Accession Q2G0D1, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene sarX, Length 119 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.4Low90.5Very high163 Ų163100 Ų10080%0.80352%0.523SS*.  0127.40-179.9164.655.800107.2K5 L6 L9M1-K5 HydrophobicContact CG-CB 4.05Å; M1-L6 HydrophobicContact CE-CB 3.84Å; M1-L6 HydrophobicContact CE-CD1 3.51Å; M1-L6 HydrophobicContact CE-CD2 4.43Å; M1-L6 HydrophobicContact CE-CG 4.09Å; M1-L6 HydrophobicContact CG-CB 4.4Å; M1-L6 HydrophobicContact SD-CB 4.3Å; M1-L9 HydrophobicContact SD-CD1 3.69Å
2N87.7Confident90.8Very high86 Ų86102.3 Ų102.346%0.4653%0.526SS..  trans-63141176.1-176.77.9000109.2E4 K5 L6N2-E4 PolarHBondContact ND2-OE2 3.37Å; N2-E4 PolarHBondContact O-N 2.97Å; N2-K5 HydrophobicContact CB-CG 4.37Å; N2-K5 WeakPolarHBondContact O-CB 3.47Å; N2-K5 PolarHBondContact O-N 3.22Å; N2-L6 PolarHBondContact O-N 3Å; N2-L6 VanDerWaalsContact O-N 3.13Å
3T91.6Very high91Very high93 Ų93105.1 Ų105.157%0.57153%0.528SS*.Hα-helixtrans-49.8-42.2178.4-53.50000111.6K5 L6 E7T3-K5 PolarHBondContact O-N 3.13Å; T3-L6 WeakPolarHBondContact O-CB 3.49Å; T3-L6 PolarHBondContact O-N 3.48Å; T3-L6 VanDerWaalsContact O-N 3.15Å; T3-E7 WeakPolarHBondContact O-CG 3.41Å; T3-E7 PolarHBondContact O-N 2.99Å
4E91.9Very high91.3Very high128 Ų128108.1 Ų108.160%0.59854%0.536SS*.Hα-helixtrans-60.8-39.7177.1-62.9170.4167.400113.2N2 L6 E7 T8N2-E4 PolarHBondContact ND2-OE2 3.37Å; N2-E4 PolarHBondContact O-N 2.97Å; E4-L6 VanDerWaalsContact C-N 3.35Å; E4-E7 PolarHBondContact O-N 3.41Å; E4-T8 WeakPolarHBondContact O-CB 3.47Å; E4-T8 PolarHBondContact O-N 2.91Å; E4-T8 PolarHBondContact O-OG1 3.48Å
5K94.3Very high91.4Very high142 Ų142109 Ų10962%0.61754%0.538SS*.Hα-helixtrans-68.2-38.5177.3-69.6-173.1178.3-175.10110.8M1 N2 T3 T8 L9M1-K5 HydrophobicContact CG-CB 4.05Å; N2-K5 HydrophobicContact CB-CG 4.37Å; N2-K5 WeakPolarHBondContact O-CB 3.47Å; N2-K5 PolarHBondContact O-N 3.22Å; T3-K5 PolarHBondContact O-N 3.13Å; K5-T8 PolarHBondContact O-N 3.15Å; K5-L9 WeakPolarHBondContact O-CG 3.43Å; K5-L9 PolarHBondContact O-N 2.8Å
6L94.1Very high91.5Very high76 Ų76110.9 Ų110.940%0.39854%0.539SS..Hα-helixtrans-64-46.4175.2176.359.1000111M1 N2 T3 E4 T8 L9 L10M1-L6 HydrophobicContact CE-CB 3.84Å; M1-L6 HydrophobicContact CE-CD1 3.51Å; M1-L6 HydrophobicContact CE-CD2 4.43Å; M1-L6 HydrophobicContact CE-CG 4.09Å; M1-L6 HydrophobicContact CG-CB 4.4Å; M1-L6 HydrophobicContact SD-CB 4.3Å; N2-L6 PolarHBondContact O-N 3Å; N2-L6 VanDerWaalsContact O-N 3.13Å; T3-L6 WeakPolarHBondContact O-CB 3.49Å; T3-L6 PolarHBondContact O-N 3.48Å; T3-L6 VanDerWaalsContact O-N 3.15Å; E4-L6 VanDerWaalsContact C-N 3.35Å; L6-T8 VanDerWaalsContact C-N 3.3Å; L6-T8 PolarHBondContact O-N 3.05Å; L6-L9 PolarHBondContact O-N 3.13Å; L6-L10 HydrophobicContact CD1-CD1 4.19Å; L6-L10 HydrophobicContact CD1-CG 4.15Å; L6-L10 HydrophobicContact CG-CD1 4.13Å; L6-L10 HydrophobicContact CG-CG 4.48Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 2.91Å
7E94.6Very high91.7Very high122 Ų122110.1 Ų110.157%0.5753%0.532SS*.Hα-helixtrans-59.6-41.9177.4-73.3174.2175.500111.8T3 E4 L10 G11T3-E7 WeakPolarHBondContact O-CG 3.41Å; T3-E7 PolarHBondContact O-N 2.99Å; E4-E7 PolarHBondContact O-N 3.41Å; E7-L10 PolarHBondContact O-N 3.44Å; E7-G11 PolarHBondContact O-N 3.37Å
8T94.5Very high91.9Very high78 Ų78106.4 Ų106.448%0.47952%0.522SS..Hα-helixtrans-60.6-47.3175-55.30000111.7E4 K5 L6 L10 G11 F12E4-T8 WeakPolarHBondContact O-CB 3.47Å; E4-T8 PolarHBondContact O-N 2.91Å; E4-T8 PolarHBondContact O-OG1 3.48Å; K5-T8 PolarHBondContact O-N 3.15Å; L6-T8 VanDerWaalsContact C-N 3.3Å; L6-T8 PolarHBondContact O-N 3.05Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L10 PolarHBondContact O-N 2.99Å; T8-G11 WeakPolarHBondContact O-CA 3.42Å; T8-G11 PolarHBondContact O-N 3.23Å; T8-G11 VanDerWaalsContact O-N 3.13Å; T8-F12 HydrophobicContact CG2-CD2 4.21Å; T8-F12 HydrophobicContact CG2-CE2 3.61Å; T8-F12 HydrophobicContact CG2-CZ 4.1Å; T8-F12 WeakPolarHBondContact O-CD2 3.48Å; T8-F12 PolarHBondContact O-N 2.87Å
9L94.3Very high92Very high98 Ų98102.2 Ų102.251%0.51350%0.502SS..Hα-helixtrans-61.6-40.9176.7-72.4171.1000112.2M1 K5 L6 G11 F12 Y13M1-L9 HydrophobicContact SD-CD1 3.69Å; K5-L9 WeakPolarHBondContact O-CG 3.43Å; K5-L9 PolarHBondContact O-N 2.8Å; L6-L9 PolarHBondContact O-N 3.13Å; L9-G11 VanDerWaalsContact C-N 3.29Å; L9-G11 PolarHBondContact O-N 3.05Å; L9-F12 PolarHBondContact O-N 3.31Å; L9-Y13 PolarHBondContact O-N 3.44Å
10L94.5Very high92.2Very high84 Ų8499 Ų9944%0.4449%0.49SS..Hα-helixtrans-66-33.4175.2-69.8175.6000111.8L6 E7 T8 Y13 K14L6-L10 HydrophobicContact CD1-CD1 4.19Å; L6-L10 HydrophobicContact CD1-CG 4.15Å; L6-L10 HydrophobicContact CG-CD1 4.13Å; L6-L10 HydrophobicContact CG-CG 4.48Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 2.91Å; E7-L10 PolarHBondContact O-N 3.44Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L10 PolarHBondContact O-N 2.99Å; L10-Y13 PolarHBondContact O-N 3.39Å; L10-K14 WeakPolarHBondContact O-CB 3.29Å; L10-K14 VanDerWaalsContact O-CG 3.29Å; L10-K14 WeakPolarHBondContact O-CG 3.32Å; L10-K14 PolarHBondContact O-N 3.48Å
11G94.6Very high92.4Very high30 Ų3098.1 Ų98.131%0.30949%0.485SS..Hα-helixtrans-59.1-53.2171.100000112E7 T8 L9 Y13 K14 Q15E7-G11 PolarHBondContact O-N 3.37Å; T8-G11 WeakPolarHBondContact O-CA 3.42Å; T8-G11 PolarHBondContact O-N 3.23Å; T8-G11 VanDerWaalsContact O-N 3.13Å; L9-G11 VanDerWaalsContact C-N 3.29Å; L9-G11 PolarHBondContact O-N 3.05Å; G11-Y13 VanDerWaalsContact C-N 3.33Å; G11-Y13 PolarHBondContact O-N 2.99Å; G11-K14 PolarHBondContact O-N 3.37Å; G11-Q15 PolarHBondContact O-N 2.87Å
12F93.9Very high94Very high127 Ų12792.8 Ų92.856%0.55746%0.456SS*.Hα-helixtrans-59.1-42.6176.4-67-47.8000112.4T8 L9 K14 Q15 Y16T8-F12 HydrophobicContact CG2-CD2 4.21Å; T8-F12 HydrophobicContact CG2-CE2 3.61Å; T8-F12 HydrophobicContact CG2-CZ 4.1Å; T8-F12 WeakPolarHBondContact O-CD2 3.48Å; T8-F12 PolarHBondContact O-N 2.87Å; L9-F12 PolarHBondContact O-N 3.31Å; F12-K14 PolarHBondContact O-N 2.97Å; F12-Q15 PolarHBondContact O-N 3.11Å; F12-Y16 WeakPolarHBondContact O-CB 3.34Å; F12-Y16 PolarHBondContact O-N 3.21Å
13Y94.5Very high94.4Very high139 Ų13988.7 Ų88.755%0.54543%0.434SS..Hα-helixtrans-61.1-44.1176.9174.1-102.1000112.3L9 L10 G11 Y16 K17L9-Y13 PolarHBondContact O-N 3.44Å; L10-Y13 PolarHBondContact O-N 3.39Å; G11-Y13 VanDerWaalsContact C-N 3.33Å; G11-Y13 PolarHBondContact O-N 2.99Å; Y13-Y16 PolarHBondContact O-N 2.84Å; Y13-K17 HydrophobicContact CE1-CD 4.41Å; Y13-K17 VanDerWaalsContact O-CB 3.31Å; Y13-K17 WeakPolarHBondContact O-CB 3.46Å; Y13-K17 PolarHBondContact O-N 3.26Å
14K94.1Very high94.6Very high148 Ų14888.1 Ų88.164%0.64343%0.428SS*.Hα-helixtrans-63.2-43.8177.4-75.3174-177.6178.90111.6L10 G11 F12 K17 A18L10-K14 WeakPolarHBondContact O-CB 3.29Å; L10-K14 VanDerWaalsContact O-CG 3.29Å; L10-K14 WeakPolarHBondContact O-CG 3.32Å; L10-K14 PolarHBondContact O-N 3.48Å; G11-K14 PolarHBondContact O-N 3.37Å; F12-K14 PolarHBondContact O-N 2.97Å; K14-K17 PolarHBondContact O-N 3.49Å; K14-A18 WeakPolarHBondContact O-CB 3.31Å; K14-A18 PolarHBondContact O-N 2.91Å
15Q92.6Very high94.8Very high121 Ų12188.8 Ų88.857%0.56543%0.428SS*.Hα-helixtrans-63.3-48.9176.9-74.3178.7-27.900111.8G11 F12 K17 A18 L19G11-Q15 PolarHBondContact O-N 2.87Å; F12-Q15 PolarHBondContact O-N 3.11Å; Q15-K17 VanDerWaalsContact C-N 3.31Å; Q15-K17 PolarHBondContact O-N 3.38Å; Q15-A18 PolarHBondContact O-N 3.29Å; Q15-L19 WeakPolarHBondContact O-CB 3.46Å; Q15-L19 PolarHBondContact O-N 3.23Å
16Y94.1Very high94.9Very high140 Ų14087 Ų8755%0.54942%0.421SS..Hα-helixtrans-54.7-47.4175.3170.2-91.4000111.5F12 Y13 S20 L31F12-Y16 WeakPolarHBondContact O-CB 3.34Å; F12-Y16 PolarHBondContact O-N 3.21Å; Y13-Y16 PolarHBondContact O-N 2.84Å; Y16-S20 VanDerWaalsContact O-CB 3.28Å; Y16-S20 WeakPolarHBondContact O-CB 3.38Å; Y16-S20 PolarHBondContact O-N 3.5Å; Y16-L31 HydrophobicContact CD2-CD1 3.59Å; Y16-L31 HydrophobicContact CE2-CD1 3.25Å
17K95.1Very high95Very high97 Ų9785.1 Ų85.142%0.42241%0.409SS..Hα-helixtrans-63.7-47.8179.7-177.3177.1175.8179.30111.7Y13 K14 Q15 L19 S20 E21Y13-K17 HydrophobicContact CE1-CD 4.41Å; Y13-K17 VanDerWaalsContact O-CB 3.31Å; Y13-K17 WeakPolarHBondContact O-CB 3.46Å; Y13-K17 PolarHBondContact O-N 3.26Å; K14-K17 PolarHBondContact O-N 3.49Å; Q15-K17 VanDerWaalsContact C-N 3.31Å; Q15-K17 PolarHBondContact O-N 3.38Å; K17-L19 VanDerWaalsContact C-N 3.35Å; K17-L19 PolarHBondContact O-N 2.91Å; K17-S20 PolarHBondContact O-N 2.93Å; K17-E21 WeakPolarHBondContact CE-OE1 3.43Å; K17-E21 IonicContact NZ-OE1 3.99Å; K17-E21 WeakPolarHBondContact O-CB 2.92Å; K17-E21 WeakPolarHBondContact O-CG 3.34Å; K17-E21 PolarHBondContact O-N 2.96Å
18A94.5Very high95.1Very high43 Ų4384.6 Ų84.636%0.35540%0.404SS..Hα-helixtrans-59.4-46.1179.500000111.5K14 Q15 E21 Y22 F116K14-A18 WeakPolarHBondContact O-CB 3.31Å; K14-A18 PolarHBondContact O-N 2.91Å; Q15-A18 PolarHBondContact O-N 3.29Å; A18-E21 PolarHBondContact O-N 3.38Å; A18-Y22 WeakPolarHBondContact O-CB 3.49Å; A18-Y22 PolarHBondContact O-N 3.43Å; A18-F116 HydrophobicContact CB-CZ 4.24Å
19L94.9Very high95.3Very high27 Ų2781.1 Ų81.114%0.14138%0.383CS..Hα-helixtrans-64.8-46.9177.3-178.562.5000111.9Q15 K17 E21 Y22 I23 L31 V113 F116 L117Q15-L19 WeakPolarHBondContact O-CB 3.46Å; Q15-L19 PolarHBondContact O-N 3.23Å; K17-L19 VanDerWaalsContact C-N 3.35Å; K17-L19 PolarHBondContact O-N 2.91Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 PolarHBondContact O-N 2.94Å; L19-Y22 PolarHBondContact O-N 3.36Å; L19-I23 HydrophobicContact CD1-CD1 4.43Å; L19-I23 HydrophobicContact CD1-CG1 3.99Å; L19-I23 HydrophobicContact CG-CG1 4.37Å; L19-I23 WeakPolarHBondContact O-CG1 3.28Å; L19-I23 PolarHBondContact O-N 3.42Å; L19-L31 HydrophobicContact CD2-CD2 3.67Å; L19-L31 HydrophobicContact CG-CD2 3.85Å; L19-V113 HydrophobicContact CD1-CG1 3.75Å; L19-F116 HydrophobicContact CB-CE1 4.41Å; L19-F116 HydrophobicContact CD1-CD1 4.05Å; L19-F116 HydrophobicContact CD1-CE1 4.31Å; L19-L117 HydrophobicContact CB-CD2 4.27Å; L19-L117 HydrophobicContact CD1-CD1 4.24Å; L19-L117 HydrophobicContact CD1-CD2 4.15Å; L19-L117 HydrophobicContact CD1-CG 4.21Å; L19-L117 HydrophobicContact CD2-CD1 4.12Å; L19-L117 HydrophobicContact CD2-CD2 4.44Å
20S95.8Very high95.3Very high37 Ų3778 Ų7826%0.25937%0.37SS..Hα-helixtrans-59-42.1178.8-174.20000111.9Y16 K17 D24Y16-S20 VanDerWaalsContact O-CB 3.28Å; Y16-S20 WeakPolarHBondContact O-CB 3.38Å; Y16-S20 PolarHBondContact O-N 3.5Å; K17-S20 PolarHBondContact O-N 2.93Å; S20-D24 WeakPolarHBondContact O-CB 3.41Å; S20-D24 PolarHBondContact O-N 3.14Å; S20-D24 VanDerWaalsContact O-N 3.17Å
21E96.2Very high95.3Very high82 Ų8275.9 Ų75.938%0.38336%0.358SS..Hα-helixtrans-69-38.9177.1-73.7-177.5-164.500112.4K17 A18 L19 K25K17-E21 WeakPolarHBondContact CE-OE1 3.43Å; K17-E21 IonicContact NZ-OE1 3.99Å; K17-E21 WeakPolarHBondContact O-CB 2.92Å; K17-E21 WeakPolarHBondContact O-CG 3.34Å; K17-E21 PolarHBondContact O-N 2.96Å; A18-E21 PolarHBondContact O-N 3.38Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 PolarHBondContact O-N 2.94Å; E21-K25 WeakPolarHBondContact O-CB 3.32Å; E21-K25 VanDerWaalsContact O-CG 3.25Å; E21-K25 WeakPolarHBondContact O-CG 3.48Å; E21-K25 PolarHBondContact O-N 3.35Å; E21-K25 IonicContact OE2-NZ 3.49Å
22Y96.6Very high95.3Very high50 Ų5077.9 Ų77.920%0.19636%0.362CS..Hα-helixtrans-61.6-50.9178.2179.6-105.3000111.5A18 L19 D24 K25 K26 D112 F116A18-Y22 WeakPolarHBondContact O-CB 3.49Å; A18-Y22 PolarHBondContact O-N 3.43Å; L19-Y22 PolarHBondContact O-N 3.36Å; Y22-D24 PolarHBondContact O-N 3.04Å; Y22-K25 PolarHBondContact O-N 2.98Å; Y22-K26 HydrophobicContact CE1-CD 4.17Å; Y22-K26 HydrophobicContact CE2-CD 4.13Å; Y22-K26 WeakPolarHBondContact O-CB 3.4Å; Y22-K26 PolarHBondContact O-N 3.24Å; Y22-K26 VanDerWaalsContact OH-CD 3.31Å; Y22-K26 WeakPolarHBondContact OH-CD 3.24Å; Y22-K26 PolarHBondContact OH-NZ 3.21Å; Y22-D112 WeakPolarHBondContact CE1-OD2 3.39Å; Y22-D112 VanDerWaalsContact OH-CG 3.23Å; Y22-D112 PolarHBondContact OH-OD1 3.33Å; Y22-D112 PolarHBondContact OH-OD2 3.49Å; Y22-F116 HydrophobicContact CD1-CB 4.14Å; Y22-F116 AromaticContact CD1-CD1 3.97Å; Y22-F116 HydrophobicContact CD1-CD1 3.97Å; Y22-F116 HydrophobicContact CD1-CD2 4.03Å; Y22-F116 HydrophobicContact CD1-CE1 4.43Å; Y22-F116 HydrophobicContact CD1-CE2 4.47Å; Y22-F116 AromaticContact CD1-CG 3.75Å; Y22-F116 HydrophobicContact CD1-CG 3.75Å; Y22-F116 AromaticContact CD2-CD2 3.53Å; Y22-F116 HydrophobicContact CD2-CD2 3.53Å; Y22-F116 AromaticContact CD2-CE2 3.58Å; Y22-F116 HydrophobicContact CD2-CE2 3.58Å; Y22-F116 HydrophobicContact CD2-CG 4.13Å; Y22-F116 HydrophobicContact CD2-CZ 4.23Å; Y22-F116 HydrophobicContact CE1-CB 3.81Å; Y22-F116 HydrophobicContact CE1-CD2 4.17Å; Y22-F116 AromaticContact CE1-CG 3.9Å; Y22-F116 HydrophobicContact CE1-CG 3.9Å; Y22-F116 AromaticContact CE2-CD2 3.69Å; Y22-F116 HydrophobicContact CE2-CD2 3.69Å; Y22-F116 HydrophobicContact CE2-CE2 4.17Å; Y22-F116 HydrophobicContact CE2-CG 4.27Å; Y22-F116 HydrophobicContact CG-CD1 4.09Å; Y22-F116 AromaticContact CG-CD2 3.7Å; Y22-F116 HydrophobicContact CG-CD2 3.7Å; Y22-F116 HydrophobicContact CG-CE1 4.14Å; Y22-F116 AromaticContact CG-CE2 3.75Å; Y22-F116 HydrophobicContact CG-CE2 3.75Å; Y22-F116 AromaticContact CG-CG 3.87Å; Y22-F116 HydrophobicContact CG-CG 3.87Å; Y22-F116 AromaticContact CG-CZ 3.97Å; Y22-F116 HydrophobicContact CG-CZ 3.97Å; Y22-F116 AromaticContact CZ-CD2 4Å
23I96.4Very high95.4Very high0 Ų071.8 Ų71.80%034%0.335CS..Hα-helixtrans-62.2-44179.8-67.1-59.2000111.9L19 Y27 K28 L29 L34 V113L19-I23 HydrophobicContact CD1-CD1 4.43Å; L19-I23 HydrophobicContact CD1-CG1 3.99Å; L19-I23 HydrophobicContact CG-CG1 4.37Å; L19-I23 WeakPolarHBondContact O-CG1 3.28Å; L19-I23 PolarHBondContact O-N 3.42Å; I23-Y27 HydrophobicContact CD1-CD2 4.05Å; I23-Y27 HydrophobicContact CD1-CE2 4.39Å; I23-Y27 WeakPolarHBondContact O-CA 3.29Å; I23-Y27 WeakPolarHBondContact O-CB 3.35Å; I23-Y27 PolarHBondContact O-N 2.97Å; I23-K28 PolarHBondContact O-N 2.86Å; I23-L29 HydrophobicContact CG2-CB 3.8Å; I23-L29 WeakPolarHBondContact CG2-O 3.28Å; I23-L34 HydrophobicContact CD1-CD1 4.49Å; I23-L34 HydrophobicContact CD1-CD2 3.77Å; I23-L34 HydrophobicContact CG1-CD2 3.95Å; I23-L34 HydrophobicContact CG2-CD1 3.61Å; I23-L34 HydrophobicContact CG2-CD2 4.38Å; I23-V113 HydrophobicContact CD1-CG2 3.36Å
24D96.4Very high95.5Very high82 Ų8265.8 Ų65.844%0.43931%0.312SS..Hα-helixtrans-64.4-44.8177.6177.650.5000111.7S20 Y22 K28 L29S20-D24 WeakPolarHBondContact O-CB 3.41Å; S20-D24 PolarHBondContact O-N 3.14Å; S20-D24 VanDerWaalsContact O-N 3.17Å; Y22-D24 PolarHBondContact O-N 3.04Å; D24-K28 WeakPolarHBondContact O-CA 3.46Å; D24-K28 WeakPolarHBondContact O-CD 3.32Å; D24-K28 PolarHBondContact O-N 2.95Å; D24-L29 VanDerWaalsContact CA-O 3.25Å; D24-L29 WeakPolarHBondContact CA-O 3.28Å; D24-L29 PolarHBondContact N-O 2.89Å
25K96.2Very high95.6Very high142 Ų14260.2 Ų60.262%0.61729%0.294SS*.Hα-helixtrans-64.9-47.8-179.5-75.4173.7-176.6167.70112.1E21 Y22E21-K25 WeakPolarHBondContact O-CB 3.32Å; E21-K25 VanDerWaalsContact O-CG 3.25Å; E21-K25 WeakPolarHBondContact O-CG 3.48Å; E21-K25 PolarHBondContact O-N 3.35Å; E21-K25 IonicContact OE2-NZ 3.49Å; Y22-K25 PolarHBondContact O-N 2.98Å
26K96.2Very high95.9Very high104 Ų10454.5 Ų54.545%0.45227%0.267SS..Hα-helixtrans-81.9-42.1-172.1-170.4169.2-177.5176.10113.1Y22 D112Y22-K26 HydrophobicContact CE1-CD 4.17Å; Y22-K26 HydrophobicContact CE2-CD 4.13Å; Y22-K26 WeakPolarHBondContact O-CB 3.4Å; Y22-K26 PolarHBondContact O-N 3.24Å; Y22-K26 VanDerWaalsContact OH-CD 3.31Å; Y22-K26 WeakPolarHBondContact OH-CD 3.24Å; Y22-K26 PolarHBondContact OH-NZ 3.21Å; K26-D112 WeakPolarHBondContact CD-OD2 3.29Å; K26-D112 WeakPolarHBondContact CE-OD2 3.24Å; K26-D112 IonicContact NZ-OD1 3.75Å; K26-D112 PolarHBondContact NZ-OD1 3.01Å; K26-D112 IonicContact NZ-OD2 3.76Å; K26-D112 PolarHBondContact NZ-OD2 3.36Å
27Y96.2Very high96Very high37 Ų3747.8 Ų47.815%0.14524%0.241CC..Hα-helixtrans-112.3-10.7-171.7-61.5-73.7000114I23 L29 L109 D112I23-Y27 HydrophobicContact CD1-CD2 4.05Å; I23-Y27 HydrophobicContact CD1-CE2 4.39Å; I23-Y27 WeakPolarHBondContact O-CA 3.29Å; I23-Y27 WeakPolarHBondContact O-CB 3.35Å; I23-Y27 PolarHBondContact O-N 2.97Å; Y27-L29 PolarHBondContact O-N 2.96Å; Y27-L109 HydrophobicContact CD1-CD1 4.11Å; Y27-L109 HydrophobicContact CD2-CD1 4.4Å; Y27-L109 HydrophobicContact CD2-CG 4.44Å; Y27-L109 HydrophobicContact CE1-CD1 4.38Å; Y27-L109 HydrophobicContact CE1-CG 4.36Å; Y27-L109 HydrophobicContact CE2-CG 4.27Å; Y27-L109 HydrophobicContact CG-CD1 4.11Å; Y27-D112 WeakPolarHBondContact OH-CB 3.42Å; Y27-D112 VanDerWaalsContact OH-CG 3.27Å; Y27-D112 PolarHBondContact OH-OD2 3.47Å
28K96.7Very high96.1Very high111 Ų11145.6 Ų45.648%0.48323%0.234SC..SBendtrans55.539.1-171.8-56.8-69.3168.1-159.30111.6I23 D24I23-K28 PolarHBondContact O-N 2.86Å; D24-K28 WeakPolarHBondContact O-CA 3.46Å; D24-K28 WeakPolarHBondContact O-CD 3.32Å; D24-K28 PolarHBondContact O-N 2.95Å
29L96.9Very high96.3Very high4 Ų443.7 Ų43.72%0.02122%0.218CC..  trans-119.3168.8177-65.7-179.3000109.6I23 D24 Y27 D33 L34 R75 L76 K79 L109I23-L29 HydrophobicContact CG2-CB 3.8Å; I23-L29 WeakPolarHBondContact CG2-O 3.28Å; D24-L29 VanDerWaalsContact CA-O 3.25Å; D24-L29 WeakPolarHBondContact CA-O 3.28Å; D24-L29 PolarHBondContact N-O 2.89Å; Y27-L29 PolarHBondContact O-N 2.96Å; L29-D33 HydrophobicContact CB-CB 4.16Å; L29-D33 HydrophobicContact CD2-CB 4.04Å; L29-L34 HydrophobicContact CB-CD1 4.11Å; L29-L34 HydrophobicContact CD1-CD1 4.16Å; L29-R75 HydrophobicContact CD2-CG 3.97Å; L29-L76 HydrophobicContact CD1-CD2 4.32Å; L29-L76 HydrophobicContact CD2-CD2 4.18Å; L29-K79 HydrophobicContact CD2-CG 4.24Å; L29-L109 HydrophobicContact CD1-CD1 3.91Å
30S95.8Very high96.4Very high34 Ų3442.4 Ų42.424%0.23821%0.211CC..  trans-116.8165.517265.30000110.4N32 D33 L34S30-N32 PolarHBondContact O-N 2.67Å; S30-D33 WeakPolarHBondContact CB-OD2 3.43Å; S30-D33 PolarHBondContact N-OD2 3.46Å; S30-D33 WeakPolarHBondContact O-CA 3.12Å; S30-D33 WeakPolarHBondContact O-CB 3.37Å; S30-D33 PolarHBondContact O-N 3.49Å; S30-D33 PolarHBondContact OG-N 2.97Å; S30-D33 PolarHBondContact OG-OD2 2.8Å; S30-L34 PolarHBondContact O-N 3.07Å; S30-L34 VanDerWaalsContact O-N 3.15Å
31L94.1Very high96.4Very high38 Ų3842 Ų4220%0.19921%0.206CC..Hα-helixtrans-58.6-32.4175-70.1175.7000113Y16 L19 D33 L34 A35Y16-L31 HydrophobicContact CD2-CD1 3.59Å; Y16-L31 HydrophobicContact CE2-CD1 3.25Å; L19-L31 HydrophobicContact CD2-CD2 3.67Å; L19-L31 HydrophobicContact CG-CD2 3.85Å; L31-D33 VanDerWaalsContact C-N 3.29Å; L31-D33 PolarHBondContact O-N 3.13Å; L31-L34 HydrophobicContact CD2-CD2 4.47Å; L31-L34 PolarHBondContact O-N 3.36Å; L31-A35 PolarHBondContact O-N 2.97Å
32N94.6Very high96.4Very high72 Ų7244.4 Ų44.439%0.38521%0.214SC..Hα-helixtrans-63.5-37.4172.3-66.8-25.5000111.8S30 L34 A35 V36 L64S30-N32 PolarHBondContact O-N 2.67Å; N32-L34 VanDerWaalsContact C-N 3.32Å; N32-A35 PolarHBondContact O-N 3.23Å; N32-V36 VanDerWaalsContact O-CG2 3.31Å; N32-V36 WeakPolarHBondContact O-CG2 3.3Å; N32-V36 PolarHBondContact O-N 3.43Å; N32-L64 HydrophobicContact CB-CD1 4.4Å
33D96.9Very high96.4Very high0 Ų045.4 Ų45.40%022%0.221CC..Hα-helixtrans-67.8-37.2178.1-54.1-43.5000110.7L29 S30 L31 V36 L37 S72 R75 L76L29-D33 HydrophobicContact CB-CB 4.16Å; L29-D33 HydrophobicContact CD2-CB 4.04Å; S30-D33 WeakPolarHBondContact CB-OD2 3.43Å; S30-D33 PolarHBondContact N-OD2 3.46Å; S30-D33 WeakPolarHBondContact O-CA 3.12Å; S30-D33 WeakPolarHBondContact O-CB 3.37Å; S30-D33 PolarHBondContact O-N 3.49Å; S30-D33 PolarHBondContact OG-N 2.97Å; S30-D33 PolarHBondContact OG-OD2 2.8Å; L31-D33 VanDerWaalsContact C-N 3.29Å; L31-D33 PolarHBondContact O-N 3.13Å; D33-V36 PolarHBondContact O-N 3.29Å; D33-L37 WeakPolarHBondContact O-CB 3.41Å; D33-L37 PolarHBondContact O-N 3.27Å; D33-S72 WeakPolarHBondContact OD1-CA 3.31Å; D33-S72 WeakPolarHBondContact OD1-CB 3.39Å; D33-S72 PolarHBondContact OD1-OG 2.82Å; D33-R75 IonicContact OD1-NH1 2.67Å; D33-R75 PolarHBondContact OD1-NH1 3.46Å; D33-R75 VanDerWaalsContact OD1-NH1 3.14Å; D33-R75 WeakPolarHBondContact OD2-CD 3.31Å; D33-R75 IonicContact OD2-CZ 2.75Å; D33-R75 IonicContact OD2-NH1 3.14Å; D33-R75 PolarHBondContact OD2-NH1 3.49Å; D33-L76 HydrophobicContact CB-CD2 4.2Å
34L96.2Very high96.3Very high12 Ų1245.4 Ų45.46%0.06322%0.221CC..Hα-helixtrans-63.9-43.9173.4-90.361.3000111.7I23 L29 S30 L31 N32 L37 D38 L109 F110 V113I23-L34 HydrophobicContact CD1-CD1 4.49Å; I23-L34 HydrophobicContact CD1-CD2 3.77Å; I23-L34 HydrophobicContact CG1-CD2 3.95Å; I23-L34 HydrophobicContact CG2-CD1 3.61Å; I23-L34 HydrophobicContact CG2-CD2 4.38Å; L29-L34 HydrophobicContact CB-CD1 4.11Å; L29-L34 HydrophobicContact CD1-CD1 4.16Å; S30-L34 PolarHBondContact O-N 3.07Å; S30-L34 VanDerWaalsContact O-N 3.15Å; L31-L34 HydrophobicContact CD2-CD2 4.47Å; L31-L34 PolarHBondContact O-N 3.36Å; N32-L34 VanDerWaalsContact C-N 3.32Å; L34-L37 PolarHBondContact O-N 2.94Å; L34-D38 PolarHBondContact O-N 3.19Å; L34-L109 HydrophobicContact CD1-CD2 4.34Å; L34-L109 HydrophobicContact CD2-CD2 4.15Å; L34-L109 HydrophobicContact CG-CD2 4Å; L34-F110 HydrophobicContact CB-CZ 4.48Å; L34-V113 HydrophobicContact CD2-CG2 4.49Å
35A96.3Very high96.2Very high32 Ų3246.1 Ų46.126%0.26422%0.22SC..Hα-helixtrans-62.6-42.817700000111.9L31 N32 L37 D38 L39 L62L31-A35 PolarHBondContact O-N 2.97Å; N32-A35 PolarHBondContact O-N 3.23Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-D38 PolarHBondContact O-N 3.17Å; A35-L39 PolarHBondContact O-N 3.19Å; A35-L39 VanDerWaalsContact O-N 3.13Å; A35-L62 HydrophobicContact CB-CD1 4.07Å; A35-L62 HydrophobicContact CB-CD2 3.99Å
36V97.7Very high96.1Very high0 Ų046.6 Ų46.60%023%0.229CC..Hα-helixtrans-64-40.5173.7173.20000110.8N32 D33 L39 T40 F54 L62 L69 I73 L76N32-V36 VanDerWaalsContact O-CG2 3.31Å; N32-V36 WeakPolarHBondContact O-CG2 3.3Å; N32-V36 PolarHBondContact O-N 3.43Å; D33-V36 PolarHBondContact O-N 3.29Å; V36-L39 PolarHBondContact O-N 3.35Å; V36-T40 WeakPolarHBondContact O-CG2 3.49Å; V36-T40 PolarHBondContact O-N 2.63Å; V36-F54 HydrophobicContact CG1-CE1 4.29Å; V36-F54 HydrophobicContact CG1-CZ 4.39Å; V36-L62 HydrophobicContact CG2-CD1 3.8Å; V36-L69 HydrophobicContact CG2-CD2 3.62Å; V36-I73 HydrophobicContact CG1-CG1 3.9Å; V36-L76 HydrophobicContact CB-CD1 4.18Å; V36-L76 HydrophobicContact CG1-CD1 3.77Å
37L96.9Very high96Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-64.9-42.1179.8-176.161000111.7D33 L34 A35 L39 T40 M41 L76 R81 F106 L109 F110D33-L37 WeakPolarHBondContact O-CB 3.41Å; D33-L37 PolarHBondContact O-N 3.27Å; L34-L37 PolarHBondContact O-N 2.94Å; A35-L37 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.31Å; L37-T40 WeakPolarHBondContact CA-OG1 3.39Å; L37-T40 PolarHBondContact O-N 3.15Å; L37-T40 VanDerWaalsContact O-N 3.16Å; L37-T40 PolarHBondContact O-OG1 3.44Å; L37-M41 PolarHBondContact O-N 2.89Å; L37-L76 HydrophobicContact CB-CD1 4.06Å; L37-L76 HydrophobicContact CB-CD2 4.14Å; L37-L76 HydrophobicContact CD1-CD1 4.45Å; L37-L76 HydrophobicContact CD1-CD2 4.31Å; L37-L76 HydrophobicContact CD2-CD2 4.29Å; L37-L76 HydrophobicContact CG-CD2 4.47Å; L37-R81 HydrophobicContact CD1-CB 4.14Å; L37-R81 WeakPolarHBondContact CD1-O 3.43Å; L37-F106 HydrophobicContact CD1-CD2 4.14Å; L37-F106 HydrophobicContact CD2-CD2 4.07Å; L37-F106 HydrophobicContact CG-CD2 3.66Å; L37-F106 HydrophobicContact CG-CE2 4.02Å; L37-L109 HydrophobicContact CD2-CD1 4.46Å; L37-F110 HydrophobicContact CD2-CE2 4.27Å
38D97.1Very high96Very high51 Ų5151.8 Ų51.827%0.27326%0.255SS..Hα-helixtrans-57.2-46.1170.7172.563.5000111.9L34 A35 T40 M41 K42 F110L34-D38 PolarHBondContact O-N 3.19Å; A35-D38 PolarHBondContact O-N 3.17Å; D38-T40 VanDerWaalsContact C-N 3.32Å; D38-T40 PolarHBondContact O-N 2.78Å; D38-M41 WeakPolarHBondContact O-CB 3.25Å; D38-M41 PolarHBondContact O-N 3.38Å; D38-M41 VanDerWaalsContact O-N 3.07Å; D38-K42 PolarHBondContact O-N 3.27Å; D38-K42 WeakPolarHBondContact OD1-CE 3.45Å; D38-K42 IonicContact OD1-NZ 2.8Å; D38-K42 VanDerWaalsContact OD2-CE 3.24Å; D38-K42 WeakPolarHBondContact OD2-CE 3.39Å; D38-K42 IonicContact OD2-NZ 3.7Å; D38-K42 PolarHBondContact OD2-NZ 3.31Å; D38-F110 HydrophobicContact CB-CZ 4.28Å
39L97.4Very high96Very high2 Ų247.6 Ų47.61%0.0124%0.238CC..Hα-helixtrans-62-38.1174.5-72.1-168.8000113A35 V36 L37 M41 K42 H43 F54 A58 E61 L62A35-L39 PolarHBondContact O-N 3.19Å; A35-L39 VanDerWaalsContact O-N 3.13Å; V36-L39 PolarHBondContact O-N 3.35Å; L37-L39 PolarHBondContact O-N 3.31Å; L39-M41 VanDerWaalsContact C-N 3.26Å; L39-M41 PolarHBondContact O-N 2.89Å; L39-K42 HydrophobicContact CD2-CD 4.27Å; L39-K42 PolarHBondContact O-N 3.02Å; L39-H43 WeakPolarHBondContact O-CB 3.33Å; L39-H43 PolarHBondContact O-CD2 3.42Å; L39-H43 VanDerWaalsContact O-CD2 3.23Å; L39-H43 PolarHBondContact O-N 3.06Å; L39-F54 HydrophobicContact CB-CE2 4.14Å; L39-F54 HydrophobicContact CB-CZ 4.08Å; L39-A58 HydrophobicContact CD1-CB 3.8Å; L39-E61 HydrophobicContact CD1-CB 4.02Å; L39-E61 HydrophobicContact CD2-CB 4.32Å; L39-E61 WeakPolarHBondContact CD2-OE2 3.41Å; L39-L62 HydrophobicContact CD1-CD1 3.64Å; L39-L62 HydrophobicContact CD1-CD2 3.92Å; L39-L62 HydrophobicContact CD1-CG 3.51Å; L39-L62 HydrophobicContact CG-CD1 4.34Å; L39-L62 HydrophobicContact CG-CD2 4.27Å; L39-L62 HydrophobicContact CG-CG 4.34Å
40T97.2Very high96.1Very high0 Ų049.1 Ų49.10%025%0.246CC..Hα-helixtrans-65.1-33.7174.7610000111.8V36 L37 D38 C44 F54 L82 I96 L98V36-T40 WeakPolarHBondContact O-CG2 3.49Å; V36-T40 PolarHBondContact O-N 2.63Å; L37-T40 WeakPolarHBondContact CA-OG1 3.39Å; L37-T40 PolarHBondContact O-N 3.15Å; L37-T40 VanDerWaalsContact O-N 3.16Å; L37-T40 PolarHBondContact O-OG1 3.44Å; D38-T40 VanDerWaalsContact C-N 3.32Å; D38-T40 PolarHBondContact O-N 2.78Å; T40-C44 VanDerWaalsContact O-CA 3.29Å; T40-C44 WeakPolarHBondContact O-CA 3.37Å; T40-C44 WeakPolarHBondContact O-CB 3.31Å; T40-C44 PolarHBondContact O-N 3.1Å; T40-F54 HydrophobicContact CG2-CE1 4.05Å; T40-F54 HydrophobicContact CG2-CE2 3.87Å; T40-F54 HydrophobicContact CG2-CZ 3.42Å; T40-F54 VanDerWaalsContact CG2-CZ 3.42Å; T40-L82 HydrophobicContact CG2-CD1 3.98Å; T40-L82 HydrophobicContact CG2-CD2 4.13Å; T40-I96 HydrophobicContact CG2-CD1 4.39Å; T40-L98 WeakPolarHBondContact O-CD1 3.42Å
41M96.8Very high96.1Very high30 Ų3048.7 Ų48.715%0.14824%0.241CC..Hα-helixtrans-66.9-38.1174.6-170.860.4170.300112.1L37 D38 L39 K45 L98 I103 F106L37-M41 PolarHBondContact O-N 2.89Å; D38-M41 WeakPolarHBondContact O-CB 3.25Å; D38-M41 PolarHBondContact O-N 3.38Å; D38-M41 VanDerWaalsContact O-N 3.07Å; L39-M41 VanDerWaalsContact C-N 3.26Å; L39-M41 PolarHBondContact O-N 2.89Å; M41-K45 HydrophobicContact CE-CD 3.88Å; M41-K45 HydrophobicContact CE-CG 4.46Å; M41-K45 VanDerWaalsContact O-CB 3.25Å; M41-K45 WeakPolarHBondContact O-CB 3.45Å; M41-K45 HydrophobicContact SD-CB 4.29Å; M41-K45 HydrophobicContact SD-CD 4.1Å; M41-K45 HydrophobicContact SD-CG 4.19Å; M41-L98 VanDerWaalsContact CA-CD1 3.48Å; M41-L98 HydrophobicContact CB-CD1 4.13Å; M41-L98 HydrophobicContact SD-CD1 3.69Å; M41-I103 HydrophobicContact CE-CG2 3.99Å; M41-I103 HydrophobicContact SD-CG1 4.35Å; M41-F106 HydrophobicContact CB-CD2 4.03Å; M41-F106 HydrophobicContact CB-CE1 4.32Å; M41-F106 HydrophobicContact CB-CE2 3.62Å; M41-F106 HydrophobicContact CB-CZ 3.79Å; M41-F106 HydrophobicContact CE-CD1 4.23Å; M41-F106 HydrophobicContact CE-CE1 4.49Å; M41-F106 HydrophobicContact CG-CD1 4.14Å; M41-F106 HydrophobicContact CG-CD2 4.33Å; M41-F106 HydrophobicContact CG-CE1 3.85Å; M41-F106 HydrophobicContact CG-CE2 4.06Å; M41-F106 HydrophobicContact CG-CG 4.4Å; M41-F106 HydrophobicContact CG-CZ 3.82Å; M41-F106 HydrophobicContact SD-CD1 4.3Å; M41-F106 HydrophobicContact SD-CG 4.39Å
42K96.2Very high96.2Very high131 Ų13152.9 Ų52.957%0.5726%0.259SS*.Hα-helixtrans-70-39.5177.1-70.8168.4178.1165.60113.2D38 L39D38-K42 PolarHBondContact O-N 3.27Å; D38-K42 WeakPolarHBondContact OD1-CE 3.45Å; D38-K42 IonicContact OD1-NZ 2.8Å; D38-K42 VanDerWaalsContact OD2-CE 3.24Å; D38-K42 WeakPolarHBondContact OD2-CE 3.39Å; D38-K42 IonicContact OD2-NZ 3.7Å; D38-K42 PolarHBondContact OD2-NZ 3.31Å; L39-K42 HydrophobicContact CD2-CD 4.27Å; L39-K42 PolarHBondContact O-N 3.02Å
43H95.8Very high96.3Very high72 Ų7252.4 Ų52.433%0.33326%0.262SS..Hα-helixtrans-105.6-23.2-168.3-67.4-72.5000114.5L39 V49 F54 E61L39-H43 WeakPolarHBondContact O-CB 3.33Å; L39-H43 PolarHBondContact O-CD2 3.42Å; L39-H43 VanDerWaalsContact O-CD2 3.23Å; L39-H43 PolarHBondContact O-N 3.06Å; H43-V49 WeakPolarHBondContact O-CG2 3.46Å; H43-F54 HydrophobicContact CB-CD2 4.42Å; H43-F54 HydrophobicContact CB-CE2 4.48Å; H43-E61 IonicContact CD2-OE1 2.78Å; H43-E61 IonicContact CE1-OE1 2.63Å; H43-E61 PolarHBondContact CE1-OE1 3.23Å; H43-E61 IonicContact NE2-OE1 3.92Å; H43-E61 PolarHBondContact NE2-OE1 3.48Å
44C95.7Very high96.3Very high0 Ų052.4 Ų52.40%026%0.262CS..Hα-helixtrans-123.610.4-167.6-48.30000113.9T40 E47 V49 L98T40-C44 VanDerWaalsContact O-CA 3.29Å; T40-C44 WeakPolarHBondContact O-CA 3.37Å; T40-C44 WeakPolarHBondContact O-CB 3.31Å; T40-C44 PolarHBondContact O-N 3.1Å; C44-E47 CarbonylContact C-O 3.59Å; C44-V49 HydrophobicContact CB-CG2 4.31Å; C44-L98 PolarHBondContact O-N 3.35Å
45K93.6Very high96.4Very high97 Ų9752 Ų5242%0.42226%0.26SS..SBendtrans-70.5-45.3-178.7179.6-172.7179.1-173.20112.5M41 I103M41-K45 HydrophobicContact CE-CD 3.88Å; M41-K45 HydrophobicContact CE-CG 4.46Å; M41-K45 VanDerWaalsContact O-CB 3.25Å; M41-K45 WeakPolarHBondContact O-CB 3.45Å; M41-K45 HydrophobicContact SD-CB 4.29Å; M41-K45 HydrophobicContact SD-CD 4.1Å; M41-K45 HydrophobicContact SD-CG 4.19Å; K45-I103 HydrophobicContact CG-CD1 4Å
46D93.1Very high96.5Very high151 Ų15157.3 Ų57.381%0.80728%0.277SS*.SBendtrans-98-15.9-171.6-57.7-46.2000112.8
47E93.9Very high96.4Very high135 Ų13559.6 Ų59.663%0.63129%0.291SS*.SBendtrans-149.4165.6-177.966.8173-177.500114.4C44 V49C44-E47 CarbonylContact C-O 3.59Å; E47-V49 HydrophobicContact CG-CG2 4.36Å
48K96.7Very high96.4Very high115 Ų11559.7 Ų59.750%0.529%0.291SS..PPolyproline II helixtrans-82.1116.8174.2-67.1179.5-179.7176.50109.9V85 Y95 Y97K48-V85 HydrophobicContact CD-CG1 3.95Å; K48-Y95 HydrophobicContact CB-CD1 4.16Å; K48-Y95 HydrophobicContact CB-CG 4.44Å; K48-Y97 HydrophobicContact CG-CD1 4.12Å; K48-Y97 HydrophobicContact CG-CG 4Å
49V97.5Very high96.4Very high23 Ų2360.6 Ų60.614%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-100.3136.8180-178.50000110.8H43 C44 E47 M51 F54 Y95 I96H43-V49 WeakPolarHBondContact O-CG2 3.46Å; C44-V49 HydrophobicContact CB-CG2 4.31Å; E47-V49 HydrophobicContact CG-CG2 4.36Å; V49-M51 PolarHBondContact O-N 3.44Å; V49-F54 HydrophobicContact CG1-CB 4Å; V49-Y95 CarbonylContact O-C 3.49Å; V49-Y95 WeakPolarHBondContact O-CA 3.46Å; V49-I96 PolarHBondContact N-O 3.05Å; V49-I96 PolarHBondContact O-N 3.14Å
50L97.8Very high96.4Very high37 Ų3766.4 Ų66.419%0.19433%0.326CS..EExtended strand (participates in β ladder)trans-64126.9173.8-175.271.5000109.9Q52 S53 F54 K93 Y95L50-Q52 HydrophobicContact CD2-CB 4.31Å; L50-Q52 HydrophobicContact CG-CB 4.42Å; L50-Q52 PolarHBondContact O-N 2.99Å; L50-Q52 VanDerWaalsContact O-N 3.09Å; L50-S53 WeakPolarHBondContact O-CB 3.47Å; L50-S53 PolarHBondContact O-N 2.83Å; L50-F54 PolarHBondContact O-N 3.38Å; L50-K93 HydrophobicContact CD1-CB 3.82Å; L50-K93 HydrophobicContact CD1-CD 4.44Å; L50-K93 HydrophobicContact CD1-CG 4.1Å; L50-Y95 HydrophobicContact CB-CD1 4.33Å; L50-Y95 HydrophobicContact CB-CE1 4.09Å; L50-Y95 HydrophobicContact CD1-CE1 4.28Å; L50-Y95 HydrophobicContact CD1-CE2 4.19Å
51M97.1Very high96.3Very high25 Ų2571 Ų7112%0.12335%0.348CS..Hα-helixtrans-49.9-41.1-178.5-179.870.980.400112.8V49 F54 L55 I73 I94 I96V49-M51 PolarHBondContact O-N 3.44Å; M51-F54 PolarHBondContact O-N 3.17Å; M51-L55 HydrophobicContact CG-CD1 4.04Å; M51-L55 HydrophobicContact CG-CG 4.4Å; M51-L55 WeakPolarHBondContact O-CB 3.25Å; M51-L55 WeakPolarHBondContact O-CG 3.17Å; M51-L55 PolarHBondContact O-N 3.48Å; M51-L55 HydrophobicContact SD-CG 4.45Å; M51-I73 HydrophobicContact CE-CG2 3.63Å; M51-I73 HydrophobicContact SD-CD1 3.78Å; M51-I73 HydrophobicContact SD-CG2 3.96Å; M51-I94 HydrophobicContact CB-CB 4.33Å; M51-I94 HydrophobicContact CB-CG2 4.47Å; M51-I94 VanDerWaalsContact CB-O 3.24Å; M51-I94 WeakPolarHBondContact CB-O 3.2Å; M51-I94 HydrophobicContact CE-CG2 4.2Å; M51-I94 PolarHBondContact N-O 3.24Å; M51-I96 HydrophobicContact CE-CG2 3.26Å; M51-I96 HydrophobicContact SD-CD1 4.49Å; M51-I96 HydrophobicContact SD-CG2 3.92Å
52Q96.2Very high96.3Very high125 Ų12572 Ų7258%0.58435%0.353SS*.Hα-helixtrans-65.6-39.5-179.7-67.7-178.5-17.500112.5L50 K56L50-Q52 HydrophobicContact CD2-CB 4.31Å; L50-Q52 HydrophobicContact CG-CB 4.42Å; L50-Q52 PolarHBondContact O-N 2.99Å; L50-Q52 VanDerWaalsContact O-N 3.09Å; Q52-K56 PolarHBondContact O-N 3.32Å
53S96.5Very high96.2Very high62 Ų6273 Ų7343%0.43437%0.365SS..Hα-helixtrans-69.8-42.1176.9-54.90000111.2L50 K56 T57L50-S53 WeakPolarHBondContact O-CB 3.47Å; L50-S53 PolarHBondContact O-N 2.83Å; S53-K56 PolarHBondContact O-N 2.61Å; S53-T57 PolarHBondContact O-N 2.98Å; S53-T57 VanDerWaalsContact O-N 3.16Å; S53-T57 PolarHBondContact O-OG1 2.79Å
54F97.6Very high96.1Very high1 Ų170.7 Ų70.70%0.00435%0.354CS..Hα-helixtrans-60.4-46.3174.4179-101000111.7V36 L39 T40 H43 V49 L50 M51 K56 T57 A58 I73 I96V36-F54 HydrophobicContact CG1-CE1 4.29Å; V36-F54 HydrophobicContact CG1-CZ 4.39Å; L39-F54 HydrophobicContact CB-CE2 4.14Å; L39-F54 HydrophobicContact CB-CZ 4.08Å; T40-F54 HydrophobicContact CG2-CE1 4.05Å; T40-F54 HydrophobicContact CG2-CE2 3.87Å; T40-F54 HydrophobicContact CG2-CZ 3.42Å; T40-F54 VanDerWaalsContact CG2-CZ 3.42Å; H43-F54 HydrophobicContact CB-CD2 4.42Å; H43-F54 HydrophobicContact CB-CE2 4.48Å; V49-F54 HydrophobicContact CG1-CB 4Å; L50-F54 PolarHBondContact O-N 3.38Å; M51-F54 PolarHBondContact O-N 3.17Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 2.91Å; F54-T57 PolarHBondContact O-N 2.95Å; F54-A58 HydrophobicContact CD1-CB 4.49Å; F54-A58 HydrophobicContact CE1-CB 4.1Å; F54-A58 HydrophobicContact CZ-CB 4.23Å; F54-A58 WeakPolarHBondContact O-CB 3.29Å; F54-A58 PolarHBondContact O-N 2.98Å; F54-I73 HydrophobicContact CD1-CD1 3.86Å; F54-I73 HydrophobicContact CE1-CD1 3.78Å; F54-I73 HydrophobicContact CE1-CG1 4.25Å; F54-I96 HydrophobicContact CB-CD1 3.82Å; F54-I96 HydrophobicContact CB-CG1 4.47Å; F54-I96 HydrophobicContact CD1-CD1 3.43Å; F54-I96 VanDerWaalsContact CD1-CD1 3.43Å; F54-I96 HydrophobicContact CD2-CD1 3.96Å; F54-I96 HydrophobicContact CE1-CD1 3.94Å; F54-I96 HydrophobicContact CE2-CD1 4.41Å; F54-I96 HydrophobicContact CG-CD1 3.44Å; F54-I96 VanDerWaalsContact CG-CD1 3.44Å; F54-I96 HydrophobicContact CZ-CD1 4.41Å
55L97.8Very high96.2Very high3 Ų373.5 Ų73.52%0.01637%0.374CS..Hα-helixtrans-58.4-41.3178.6-76170.1000112.2M51 A58 M59 R66 L69 L70 I73M51-L55 HydrophobicContact CG-CD1 4.04Å; M51-L55 HydrophobicContact CG-CG 4.4Å; M51-L55 WeakPolarHBondContact O-CB 3.25Å; M51-L55 WeakPolarHBondContact O-CG 3.17Å; M51-L55 PolarHBondContact O-N 3.48Å; M51-L55 HydrophobicContact SD-CG 4.45Å; L55-A58 PolarHBondContact O-N 3.28Å; L55-M59 WeakPolarHBondContact O-CB 3.32Å; L55-M59 WeakPolarHBondContact O-CG 3.16Å; L55-M59 PolarHBondContact O-N 3Å; L55-R66 HydrophobicContact CD1-CG 4.41Å; L55-L69 HydrophobicContact CD2-CB 3.7Å; L55-L69 HydrophobicContact CD2-CD1 4.3Å; L55-L70 HydrophobicContact CD1-CD2 3.82Å; L55-L70 HydrophobicContact CD1-CG 4.26Å; L55-L70 HydrophobicContact CD2-CD2 4.21Å; L55-L70 HydrophobicContact CD2-CG 4.21Å; L55-I73 HydrophobicContact CD2-CD1 3.68Å; L55-I73 HydrophobicContact CG-CD1 4.43Å
56K97Very high96.3Very high144 Ų14474.9 Ų74.963%0.62638%0.377SS*.Hα-helixtrans-60.4-50.6176.3-175.7-179.3175.9-174.30110.7Q52 S53 F54 A58 M59 D60Q52-K56 PolarHBondContact O-N 3.32Å; S53-K56 PolarHBondContact O-N 2.61Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 2.91Å; K56-A58 PolarHBondContact O-N 3.33Å; K56-M59 PolarHBondContact O-N 3.43Å; K56-D60 PolarHBondContact O-N 3.38Å; K56-D60 VanDerWaalsContact O-N 3.17Å
57T96.3Very high96.5Very high48 Ų4872.7 Ų72.729%0.29437%0.369SS..Hα-helixtrans-58.5-47.2178.8-50.80000111.6S53 F54 M59 D60 E61S53-T57 PolarHBondContact O-N 2.98Å; S53-T57 VanDerWaalsContact O-N 3.16Å; S53-T57 PolarHBondContact O-OG1 2.79Å; F54-T57 PolarHBondContact O-N 2.95Å; T57-M59 PolarHBondContact O-N 3.07Å; T57-D60 PolarHBondContact O-N 3.16Å; T57-E61 VanDerWaalsContact CG2-OE1 3.28Å; T57-E61 WeakPolarHBondContact CG2-OE1 3.45Å; T57-E61 PolarHBondContact O-N 2.91Å
58A97.3Very high96.6Very high1 Ų171.8 Ų71.81%0.00836%0.363CS..Hα-helixtrans-69.8-28.6-179.300000113.7L39 F54 L55 K56 L62 L69L39-A58 HydrophobicContact CD1-CB 3.8Å; F54-A58 HydrophobicContact CD1-CB 4.49Å; F54-A58 HydrophobicContact CE1-CB 4.1Å; F54-A58 HydrophobicContact CZ-CB 4.23Å; F54-A58 WeakPolarHBondContact O-CB 3.29Å; F54-A58 PolarHBondContact O-N 2.98Å; L55-A58 PolarHBondContact O-N 3.28Å; K56-A58 PolarHBondContact O-N 3.33Å; A58-L62 WeakPolarHBondContact O-CB 3.17Å; A58-L62 PolarHBondContact O-N 3.26Å; A58-L69 HydrophobicContact CB-CD1 3.94Å; A58-L69 HydrophobicContact CB-CD2 3.89Å
59M97.5Very high96.7Very high71 Ų7166.3 Ų66.335%0.3534%0.339SS..Hα-helixtrans-65.4-44.3171.6-74.717357.200110.7L55 K56 T57 D63 L64 R66 L69L55-M59 WeakPolarHBondContact O-CB 3.32Å; L55-M59 WeakPolarHBondContact O-CG 3.16Å; L55-M59 PolarHBondContact O-N 3Å; K56-M59 PolarHBondContact O-N 3.43Å; T57-M59 PolarHBondContact O-N 3.07Å; M59-D63 WeakPolarHBondContact O-CA 3.43Å; M59-D63 PolarHBondContact O-N 2.98Å; M59-L64 WeakPolarHBondContact CG-O 3.35Å; M59-R66 HydrophobicContact SD-CB 3.81Å; M59-R66 HydrophobicContact SD-CG 4.4Å; M59-L69 HydrophobicContact CB-CD1 4.21Å; M59-L69 HydrophobicContact CG-CD1 3.36Å
60D95.9Very high96.7Very high124 Ų12468.7 Ų68.766%0.66335%0.351SS*.Hα-helixtrans-69.7-38.4-178.6-63.2-21.1000111.5K56 T57K56-D60 PolarHBondContact O-N 3.38Å; K56-D60 VanDerWaalsContact O-N 3.17Å; T57-D60 PolarHBondContact O-N 3.16Å
61E96.3Very high96.7Very high97 Ų9770.2 Ų70.245%0.45336%0.362SS..Hα-helixtrans-81.7-33.9-177.5-72.7-168.3-124.600114.6L39 H43 T57L39-E61 HydrophobicContact CD1-CB 4.02Å; L39-E61 HydrophobicContact CD2-CB 4.32Å; L39-E61 WeakPolarHBondContact CD2-OE2 3.41Å; H43-E61 IonicContact CD2-OE1 2.78Å; H43-E61 IonicContact CE1-OE1 2.63Å; H43-E61 PolarHBondContact CE1-OE1 3.23Å; H43-E61 IonicContact NE2-OE1 3.92Å; H43-E61 PolarHBondContact NE2-OE1 3.48Å; T57-E61 VanDerWaalsContact CG2-OE1 3.28Å; T57-E61 WeakPolarHBondContact CG2-OE1 3.45Å; T57-E61 PolarHBondContact O-N 2.91Å
62L95.8Very high96.7Very high49 Ų4969.2 Ų69.226%0.25736%0.357SS..Hα-helixtrans-103.3-5.1-175-58.7-178.6000114.4A35 V36 L39 A58 L64 L69A35-L62 HydrophobicContact CB-CD1 4.07Å; A35-L62 HydrophobicContact CB-CD2 3.99Å; V36-L62 HydrophobicContact CG2-CD1 3.8Å; L39-L62 HydrophobicContact CD1-CD1 3.64Å; L39-L62 HydrophobicContact CD1-CD2 3.92Å; L39-L62 HydrophobicContact CD1-CG 3.51Å; L39-L62 HydrophobicContact CG-CD1 4.34Å; L39-L62 HydrophobicContact CG-CD2 4.27Å; L39-L62 HydrophobicContact CG-CG 4.34Å; A58-L62 WeakPolarHBondContact O-CB 3.17Å; A58-L62 PolarHBondContact O-N 3.26Å; L62-L64 HydrophobicContact CB-CB 4.22Å; L62-L64 HydrophobicContact CB-CD1 3.88Å; L62-L64 HydrophobicContact CB-CG 3.78Å; L62-L64 HydrophobicContact CD1-CD1 3.95Å; L62-L64 PolarHBondContact O-N 2.67Å; L62-L69 HydrophobicContact CD1-CD2 4.13Å
63D94.1Very high96.8Very high154 Ų15463.4 Ų63.482%0.82433%0.33SS*.THydrogen-bonded Turntrans50.139.4-170.3-167.330.4000112.1M59M59-D63 WeakPolarHBondContact O-CA 3.43Å; M59-D63 PolarHBondContact O-N 2.98Å
64L95Very high96.8Very high22 Ų2268.6 Ų68.612%0.11534%0.34CS..  trans-107.6142.5179.6-70-179000110.9N32 M59 L62 K68 L69N32-L64 HydrophobicContact CB-CD1 4.4Å; M59-L64 WeakPolarHBondContact CG-O 3.35Å; L62-L64 HydrophobicContact CB-CB 4.22Å; L62-L64 HydrophobicContact CB-CD1 3.88Å; L62-L64 HydrophobicContact CB-CG 3.78Å; L62-L64 HydrophobicContact CD1-CD1 3.95Å; L62-L64 PolarHBondContact O-N 2.67Å; L64-K68 HydrophobicContact CD2-CD 4.02Å; L64-L69 HydrophobicContact CB-CD2 4Å; L64-L69 HydrophobicContact CB-CG 3.97Å; L64-L69 HydrophobicContact CD1-CD2 3.97Å
65S96.4Very high96.8Very high60 Ų6072.3 Ų72.342%0.4235%0.354SS..  trans-66.515017376.50000111.3T67 K68 L69S65-T67 PolarHBondContact O-N 3.19Å; S65-T67 VanDerWaalsContact O-N 3.13Å; S65-K68 PolarHBondContact O-N 2.87Å; S65-K68 PolarHBondContact OG-N 2.86Å; S65-L69 PolarHBondContact O-N 2.9Å
66R97Very high96.8Very high126 Ų12672.2 Ų72.248%0.47535%0.353SS..Hα-helixtrans-50-40.3174.7-172.5177.2179.2139.3-0.8113L55 M59 L69 L70L55-R66 HydrophobicContact CD1-CG 4.41Å; M59-R66 HydrophobicContact SD-CB 3.81Å; M59-R66 HydrophobicContact SD-CG 4.4Å; R66-L69 PolarHBondContact O-N 3.24Å; R66-L70 HydrophobicContact CG-CD1 4.06Å; R66-L70 HydrophobicContact CG-CG 4.43Å; R66-L70 WeakPolarHBondContact O-CB 3.46Å; R66-L70 VanDerWaalsContact O-CG 3.32Å; R66-L70 WeakPolarHBondContact O-CG 3.25Å; R66-L70 PolarHBondContact O-N 2.95Å
67T97.2Very high96.9Very high104 Ų10467 Ų6764%0.63833%0.332SS*.Hα-helixtrans-64.3-43.8179.3-55.10000111.6S65 L70 V71S65-T67 PolarHBondContact O-N 3.19Å; S65-T67 VanDerWaalsContact O-N 3.13Å; T67-L70 PolarHBondContact O-N 2.62Å; T67-V71 WeakPolarHBondContact O-CG2 3.43Å; T67-V71 PolarHBondContact O-N 3.47Å; T67-V71 VanDerWaalsContact O-N 3.07Å
68K96.4Very high96.9Very high116 Ų11671.1 Ų71.150%0.50435%0.348SS..Hα-helixtrans-62.5-45.5176.4-72.9-176.5-179.4179.10111L64 S65 L70 V71 S72L64-K68 HydrophobicContact CD2-CD 4.02Å; S65-K68 PolarHBondContact O-N 2.87Å; S65-K68 PolarHBondContact OG-N 2.86Å; K68-L70 PolarHBondContact O-N 3.46Å; K68-V71 PolarHBondContact O-N 3.15Å; K68-S72 PolarHBondContact O-N 3.16Å; K68-S72 PolarHBondContact O-OG 3.33Å
69L97.9Very high96.8Very high0 Ų075.5 Ų75.50%037%0.367CS..Hα-helixtrans-60.4-45.2177.3-67.6169.5000112.2V36 L55 A58 M59 L62 L64 S65 R66 V71 S72 I73V36-L69 HydrophobicContact CG2-CD2 3.62Å; L55-L69 HydrophobicContact CD2-CB 3.7Å; L55-L69 HydrophobicContact CD2-CD1 4.3Å; A58-L69 HydrophobicContact CB-CD1 3.94Å; A58-L69 HydrophobicContact CB-CD2 3.89Å; M59-L69 HydrophobicContact CB-CD1 4.21Å; M59-L69 HydrophobicContact CG-CD1 3.36Å; L62-L69 HydrophobicContact CD1-CD2 4.13Å; L64-L69 HydrophobicContact CB-CD2 4Å; L64-L69 HydrophobicContact CB-CG 3.97Å; L64-L69 HydrophobicContact CD1-CD2 3.97Å; S65-L69 PolarHBondContact O-N 2.9Å; R66-L69 PolarHBondContact O-N 3.24Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 PolarHBondContact O-N 2.73Å; L69-S72 PolarHBondContact O-N 3.18Å; L69-I73 WeakPolarHBondContact O-CB 3.14Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.43Å; L69-I73 PolarHBondContact O-N 3.22Å
70L97.5Very high96.8Very high73 Ų7378 Ų7838%0.38238%0.378SS..Hα-helixtrans-62.3-37177.7-77.8171.8000112.8L55 R66 T67 K68 R74L55-L70 HydrophobicContact CD1-CD2 3.82Å; L55-L70 HydrophobicContact CD1-CG 4.26Å; L55-L70 HydrophobicContact CD2-CD2 4.21Å; L55-L70 HydrophobicContact CD2-CG 4.21Å; R66-L70 HydrophobicContact CG-CD1 4.06Å; R66-L70 HydrophobicContact CG-CG 4.43Å; R66-L70 WeakPolarHBondContact O-CB 3.46Å; R66-L70 VanDerWaalsContact O-CG 3.32Å; R66-L70 WeakPolarHBondContact O-CG 3.25Å; R66-L70 PolarHBondContact O-N 2.95Å; T67-L70 PolarHBondContact O-N 2.62Å; K68-L70 PolarHBondContact O-N 3.46Å; L70-R74 VanDerWaalsContact O-CB 3.29Å; L70-R74 WeakPolarHBondContact O-CB 3.44Å; L70-R74 PolarHBondContact O-N 3.42Å
71V97.5Very high96.8Very high70 Ų7074 Ų7442%0.42435%0.353SS..Hα-helixtrans-65.9-45.7174.9170.40000110.4T67 K68 L69 R74 R75T67-V71 WeakPolarHBondContact O-CG2 3.43Å; T67-V71 PolarHBondContact O-N 3.47Å; T67-V71 VanDerWaalsContact O-N 3.07Å; K68-V71 PolarHBondContact O-N 3.15Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 PolarHBondContact O-N 2.73Å; V71-R74 PolarHBondContact O-N 3.43Å; V71-R75 PolarHBondContact O-N 2.97Å
72S97.6Very high96.9Very high4 Ų469.5 Ų69.53%0.02833%0.332CS..Hα-helixtrans-62.2-49.8176.7-73.20000112.5D33 K68 L69 R74 R75 L76D33-S72 WeakPolarHBondContact OD1-CA 3.31Å; D33-S72 WeakPolarHBondContact OD1-CB 3.39Å; D33-S72 PolarHBondContact OD1-OG 2.82Å; K68-S72 PolarHBondContact O-N 3.16Å; K68-S72 PolarHBondContact O-OG 3.33Å; L69-S72 PolarHBondContact O-N 3.18Å; S72-R74 VanDerWaalsContact C-N 3.3Å; S72-R74 PolarHBondContact O-N 3.34Å; S72-R75 PolarHBondContact O-N 3.49Å; S72-R75 VanDerWaalsContact O-N 3.13Å; S72-L76 WeakPolarHBondContact O-CG 3.3Å; S72-L76 PolarHBondContact O-N 3.05Å
73I97.9Very high97Very high3 Ų367.9 Ų67.92%0.01533%0.325CS..Hα-helixtrans-57.5-44.1176.9-70.2169.1000111V36 M51 F54 L55 L69 R75 L76 I77 L82V36-I73 HydrophobicContact CG1-CG1 3.9Å; M51-I73 HydrophobicContact CE-CG2 3.63Å; M51-I73 HydrophobicContact SD-CD1 3.78Å; M51-I73 HydrophobicContact SD-CG2 3.96Å; F54-I73 HydrophobicContact CD1-CD1 3.86Å; F54-I73 HydrophobicContact CE1-CD1 3.78Å; F54-I73 HydrophobicContact CE1-CG1 4.25Å; L55-I73 HydrophobicContact CD2-CD1 3.68Å; L55-I73 HydrophobicContact CG-CD1 4.43Å; L69-I73 WeakPolarHBondContact O-CB 3.14Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.43Å; L69-I73 PolarHBondContact O-N 3.22Å; I73-R75 PolarHBondContact O-N 2.89Å; I73-L76 PolarHBondContact O-N 3.23Å; I73-I77 HydrophobicContact CG2-CD1 3.77Å; I73-I77 WeakPolarHBondContact O-CD1 3.36Å; I73-I77 VanDerWaalsContact O-CG1 3.26Å; I73-I77 WeakPolarHBondContact O-CG1 3.37Å; I73-I77 PolarHBondContact O-N 3Å; I73-L82 HydrophobicContact CG2-CD2 3.92Å
74R97.6Very high97.1Very high171 Ų17166.6 Ų66.665%0.64531%0.313SS*.Hα-helixtrans-59.1-48.9176.5179.7-176.5-60.6-166.80111.1L70 V71 S72 L76 I77 E78L70-R74 VanDerWaalsContact O-CB 3.29Å; L70-R74 WeakPolarHBondContact O-CB 3.44Å; L70-R74 PolarHBondContact O-N 3.42Å; V71-R74 PolarHBondContact O-N 3.43Å; S72-R74 VanDerWaalsContact C-N 3.3Å; S72-R74 PolarHBondContact O-N 3.34Å; R74-L76 VanDerWaalsContact C-N 3.34Å; R74-L76 PolarHBondContact O-N 3.46Å; R74-I77 PolarHBondContact O-N 3.38Å; R74-E78 WeakPolarHBondContact CD-OE1 3.41Å; R74-E78 HydrophobicContact CG-CG 4.46Å; R74-E78 VanDerWaalsContact CG-OE1 3.27Å; R74-E78 WeakPolarHBondContact CG-OE1 3.34Å; R74-E78 WeakPolarHBondContact O-CG 3.41Å; R74-E78 PolarHBondContact O-N 2.98Å
75R97.4Very high97.2Very high79 Ų7968 Ų6830%0.29832%0.322SS..Hα-helixtrans-61.3-42.8179.4-171.8-178.4-65.2136.30.5111.6L29 D33 V71 S72 I73 I77 E78 K79L29-R75 HydrophobicContact CD2-CG 3.97Å; D33-R75 IonicContact OD1-NH1 2.67Å; D33-R75 PolarHBondContact OD1-NH1 3.46Å; D33-R75 VanDerWaalsContact OD1-NH1 3.14Å; D33-R75 WeakPolarHBondContact OD2-CD 3.31Å; D33-R75 IonicContact OD2-CZ 2.75Å; D33-R75 IonicContact OD2-NH1 3.14Å; D33-R75 PolarHBondContact OD2-NH1 3.49Å; V71-R75 PolarHBondContact O-N 2.97Å; S72-R75 PolarHBondContact O-N 3.49Å; S72-R75 VanDerWaalsContact O-N 3.13Å; I73-R75 PolarHBondContact O-N 2.89Å; R75-I77 VanDerWaalsContact C-N 3.31Å; R75-I77 PolarHBondContact O-N 3.19Å; R75-E78 PolarHBondContact O-N 3.22Å; R75-K79 HydrophobicContact CG-CG 4.39Å; R75-K79 WeakPolarHBondContact O-CB 3.45Å; R75-K79 VanDerWaalsContact O-CG 3.22Å; R75-K79 WeakPolarHBondContact O-CG 3.49Å; R75-K79 PolarHBondContact O-N 3.47Å
76L98Very high97.2Very high0 Ų072 Ų720%033%0.328CS..Hα-helixtrans-61.2-40.1177-69173000111.8L29 D33 V36 L37 S72 I73 R74 K79 E80 R81 L82L29-L76 HydrophobicContact CD1-CD2 4.32Å; L29-L76 HydrophobicContact CD2-CD2 4.18Å; D33-L76 HydrophobicContact CB-CD2 4.2Å; V36-L76 HydrophobicContact CB-CD1 4.18Å; V36-L76 HydrophobicContact CG1-CD1 3.77Å; L37-L76 HydrophobicContact CB-CD1 4.06Å; L37-L76 HydrophobicContact CB-CD2 4.14Å; L37-L76 HydrophobicContact CD1-CD1 4.45Å; L37-L76 HydrophobicContact CD1-CD2 4.31Å; L37-L76 HydrophobicContact CD2-CD2 4.29Å; L37-L76 HydrophobicContact CG-CD2 4.47Å; S72-L76 WeakPolarHBondContact O-CG 3.3Å; S72-L76 PolarHBondContact O-N 3.05Å; I73-L76 PolarHBondContact O-N 3.23Å; R74-L76 VanDerWaalsContact C-N 3.34Å; R74-L76 PolarHBondContact O-N 3.46Å; L76-K79 CarbonylContact O-C 3.52Å; L76-K79 PolarHBondContact O-N 3.13Å; L76-E80 PolarHBondContact O-N 2.75Å; L76-R81 HydrophobicContact CB-CB 4.35Å; L76-R81 HydrophobicContact CD2-CB 4.03Å; L76-R81 HydrophobicContact CD2-CG 4.43Å; L76-R81 PolarHBondContact O-N 3.45Å; L76-L82 HydrophobicContact CB-CB 4.01Å
77I97.5Very high97.1Very high36 Ų3667.1 Ų67.119%0.18531%0.313CS..Hα-helixtrans-66.8-44.9175.3-66.1162000111.2I73 R74 R75 K79 E80 L82 K84I73-I77 HydrophobicContact CG2-CD1 3.77Å; I73-I77 WeakPolarHBondContact O-CD1 3.36Å; I73-I77 VanDerWaalsContact O-CG1 3.26Å; I73-I77 WeakPolarHBondContact O-CG1 3.37Å; I73-I77 PolarHBondContact O-N 3Å; R74-I77 PolarHBondContact O-N 3.38Å; R75-I77 VanDerWaalsContact C-N 3.31Å; R75-I77 PolarHBondContact O-N 3.19Å; I77-K79 PolarHBondContact O-N 2.82Å; I77-E80 PolarHBondContact O-N 2.87Å; I77-L82 WeakPolarHBondContact CA-O 3.41Å; I77-L82 HydrophobicContact CD1-CD2 4.38Å; I77-L82 HydrophobicContact CG1-CB 4.11Å; I77-L82 HydrophobicContact CG1-CD2 4.06Å; I77-L82 HydrophobicContact CG1-CG 4.06Å; I77-L82 WeakPolarHBondContact CG1-O 3.2Å; I77-K84 HydrophobicContact CD1-CB 4.03Å; I77-K84 HydrophobicContact CD1-CD 3.97Å; I77-K84 HydrophobicContact CD1-CG 4.08Å; I77-K84 HydrophobicContact CG2-CD 4.4Å; I77-K84 HydrophobicContact CG2-CG 4.24Å
78E97.2Very high97Very high134 Ų13468.1 Ų68.163%0.62632%0.324SS*.Hα-helixtrans-62.9-26.4176.4-72.7169.5-174.900112.9R74 R75R74-E78 WeakPolarHBondContact CD-OE1 3.41Å; R74-E78 HydrophobicContact CG-CG 4.46Å; R74-E78 VanDerWaalsContact CG-OE1 3.27Å; R74-E78 WeakPolarHBondContact CG-OE1 3.34Å; R74-E78 WeakPolarHBondContact O-CG 3.41Å; R74-E78 PolarHBondContact O-N 2.98Å; R75-E78 PolarHBondContact O-N 3.22Å
79K96Very high96.8Very high92 Ų9272.2 Ų72.240%0.434%0.342SS..THydrogen-bonded Turntrans-94.19.7176.2-63.7-62-178.2-175.60113.4L29 R75 L76 I77 R81L29-K79 HydrophobicContact CD2-CG 4.24Å; R75-K79 HydrophobicContact CG-CG 4.39Å; R75-K79 WeakPolarHBondContact O-CB 3.45Å; R75-K79 VanDerWaalsContact O-CG 3.22Å; R75-K79 WeakPolarHBondContact O-CG 3.49Å; R75-K79 PolarHBondContact O-N 3.47Å; L76-K79 CarbonylContact O-C 3.52Å; L76-K79 PolarHBondContact O-N 3.13Å; I77-K79 PolarHBondContact O-N 2.82Å; K79-R81 HydrophobicContact CB-CG 4.08Å; K79-R81 PolarHBondContact O-N 2.97Å
80E96.2Very high96.6Very high125 Ų12574 Ų7458%0.58435%0.351SS*.THydrogen-bonded Turntrans52.241.8179.7-52.2177.7162.900112.5L76 I77 K105L76-E80 PolarHBondContact O-N 2.75Å; I77-E80 PolarHBondContact O-N 2.87Å; E80-K105 WeakPolarHBondContact O-CD 3.49Å; E80-K105 PolarHBondContact O-NZ 3.24Å; E80-K105 VanDerWaalsContact O-NZ 3.15Å; E80-K105 IonicContact OE2-NZ 2.67Å; E80-K105 PolarHBondContact OE2-NZ 3.06Å
81R96.9Very high96.3Very high38 Ų3877.6 Ų77.614%0.14337%0.366CS..SBendtrans-106.8-8.2174.3-57.8-62.9178.9153.6-2.9112.4L37 L76 K79 L98 K105L37-R81 HydrophobicContact CD1-CB 4.14Å; L37-R81 WeakPolarHBondContact CD1-O 3.43Å; L76-R81 HydrophobicContact CB-CB 4.35Å; L76-R81 HydrophobicContact CD2-CB 4.03Å; L76-R81 HydrophobicContact CD2-CG 4.43Å; L76-R81 PolarHBondContact O-N 3.45Å; K79-R81 HydrophobicContact CB-CG 4.08Å; K79-R81 PolarHBondContact O-N 2.97Å; R81-L98 WeakPolarHBondContact O-CD2 3.33Å; R81-K105 PolarHBondContact NH1-O 2.86Å
82L97.8Very high96.1Very high3 Ų383.8 Ų83.82%0.01638%0.382CS..SBendtrans-152.3134.6-178.1175.864.2000108.8T40 I73 L76 I77 I96 Y97 L98 D102T40-L82 HydrophobicContact CG2-CD1 3.98Å; T40-L82 HydrophobicContact CG2-CD2 4.13Å; I73-L82 HydrophobicContact CG2-CD2 3.92Å; L76-L82 HydrophobicContact CB-CB 4.01Å; I77-L82 WeakPolarHBondContact CA-O 3.41Å; I77-L82 HydrophobicContact CD1-CD2 4.38Å; I77-L82 HydrophobicContact CG1-CB 4.11Å; I77-L82 HydrophobicContact CG1-CD2 4.06Å; I77-L82 HydrophobicContact CG1-CG 4.06Å; I77-L82 WeakPolarHBondContact CG1-O 3.2Å; L82-I96 HydrophobicContact CD1-CB 4.08Å; L82-I96 HydrophobicContact CD2-CB 4.43Å; L82-I96 HydrophobicContact CD2-CD1 4.45Å; L82-I96 HydrophobicContact CD2-CG2 4.31Å; L82-I96 HydrophobicContact CG-CB 4.47Å; L82-Y97 WeakPolarHBondContact CD1-O 3.38Å; L82-L98 HydrophobicContact CD1-CD2 3.98Å; L82-D102 PolarHBondContact N-OD1 2.8Å
83S97.9Very high96Very high16 Ų1687.9 Ų87.911%0.11240%0.399CS..EExtended strand (participates in β ladder)trans-96.5146.7176.5-66.70000111.7I96 Y97 N99 D102S83-I96 VanDerWaalsContact O-CA 3.26Å; S83-I96 WeakPolarHBondContact O-CA 3.32Å; S83-Y97 WeakPolarHBondContact CA-O 3.41Å; S83-Y97 VanDerWaalsContact CB-CE1 3.44Å; S83-Y97 WeakPolarHBondContact CB-O 3.32Å; S83-Y97 PolarHBondContact N-O 3.44Å; S83-Y97 PolarHBondContact O-N 2.99Å; S83-N99 PolarHBondContact OG-ND2 3.09Å; S83-D102 WeakPolarHBondContact CB-OD2 3.46Å; S83-D102 PolarHBondContact N-OD2 3.28Å; S83-D102 PolarHBondContact OG-OD2 2.67Å
84K96.8Very high96Very high127 Ų12790.1 Ų90.155%0.55241%0.411SS*.EExtended strand (participates in β ladder)trans-127149.3169.566.6167.4174.1-163.70111.4I77 I94 Y95 I96I77-K84 HydrophobicContact CD1-CB 4.03Å; I77-K84 HydrophobicContact CD1-CD 3.97Å; I77-K84 HydrophobicContact CD1-CG 4.08Å; I77-K84 HydrophobicContact CG2-CD 4.4Å; I77-K84 HydrophobicContact CG2-CG 4.24Å; K84-I94 HydrophobicContact CB-CG2 4.3Å; K84-Y95 CarbonylContact C-O 3.52Å; K84-Y95 VanDerWaalsContact CA-O 3.24Å; K84-Y95 WeakPolarHBondContact CA-O 3.22Å; K84-I96 HydrophobicContact CB-CG2 4.35Å
85V96.7Very high96Very high51 Ų5185.1 Ų85.131%0.30939%0.392SS..EExtended strand (participates in β ladder)trans-143.1138.7172.664.60000110.4K48 Y95 Y97K48-V85 HydrophobicContact CD-CG1 3.95Å; V85-Y95 PolarHBondContact N-O 3.4Å; V85-Y95 PolarHBondContact O-N 3.01Å; V85-Y97 HydrophobicContact CB-CE1 4.08Å; V85-Y97 HydrophobicContact CG1-CD1 4.22Å; V85-Y97 HydrophobicContact CG1-CE1 3.9Å
86R96.4Very high96Very high145 Ų14581.3 Ų81.355%0.54738%0.378SS..EExtended strand (participates in β ladder)trans-85.2140.6174.2-167.9178.6-63.6-77.96.3109.3E91R86-E91 WeakPolarHBondContact CD-O 3.48Å; R86-E91 HydrophobicContact CG-CB 4.47Å; R86-E91 WeakPolarHBondContact CG-O 3.44Å; R86-E91 PolarHBondContact NH1-O 3.01Å
87S95.5Very high96Very high23 Ų2384.3 Ų84.316%0.16139%0.39CS..  trans-65141174.5-179.80000111.4K89 D90 K93S87-K89 VanDerWaalsContact C-N 3.33Å; S87-K89 PolarHBondContact OG-N 3.37Å; S87-K89 VanDerWaalsContact OG-N 3.16Å; S87-D90 WeakPolarHBondContact CB-O 3.23Å; S87-D90 PolarHBondContact OG-N 3.06Å; S87-K93 PolarHBondContact N-O 2.99Å
88S94.1Very high96Very high124 Ų12483.1 Ų83.187%0.86738%0.383SS*.SBendtrans-77.6-18.1171.154.50000113.5
89K93.5Very high96Very high202 Ų20279.2 Ų79.288%0.87837%0.367SS*.SBendtrans-93.3-32-179-66-176.6178.4-179.30113.4S87S87-K89 VanDerWaalsContact C-N 3.33Å; S87-K89 PolarHBondContact OG-N 3.37Å; S87-K89 VanDerWaalsContact OG-N 3.16Å
90D93.3Very high96Very high38 Ų3881.3 Ų81.320%0.20338%0.383CS..  trans-145100.6176.7-178.5-12000108.2S87 R92 K93S87-D90 WeakPolarHBondContact CB-O 3.23Å; S87-D90 PolarHBondContact OG-N 3.06Å; D90-R92 PolarHBondContact O-N 2.75Å; D90-R92 VanDerWaalsContact OD1-CB 3.29Å; D90-R92 WeakPolarHBondContact OD1-CB 3.39Å; D90-R92 IonicContact OD1-CZ 3.78Å; D90-R92 PolarHBondContact OD1-N 2.87Å; D90-R92 IonicContact OD1-NE 2.99Å; D90-R92 PolarHBondContact OD1-NE 2.82Å; D90-R92 IonicContact OD1-NH2 3.67Å; D90-R92 IonicContact OD2-CZ 3.74Å; D90-R92 IonicContact OD2-NE 3.61Å; D90-R92 IonicContact OD2-NH2 2.98Å; D90-R92 PolarHBondContact OD2-NH2 3.13Å; D90-K93 HydrophobicContact CB-CD 4.13Å; D90-K93 HydrophobicContact CB-CG 4.11Å; D90-K93 WeakPolarHBondContact O-CB 3.1Å; D90-K93 PolarHBondContact O-N 2.75Å
91E90.7Very high96Very high148 Ų14879.1 Ų79.169%0.69238%0.375SS*.THydrogen-bonded Turntrans-56.5-20.9-176.5-70.1-172.717500113.3R86 K93R86-E91 WeakPolarHBondContact CD-O 3.48Å; R86-E91 HydrophobicContact CG-CB 4.47Å; R86-E91 WeakPolarHBondContact CG-O 3.44Å; R86-E91 PolarHBondContact NH1-O 3.01Å; E91-K93 PolarHBondContact O-N 3.33Å
92R92.5Very high96Very high201 Ų20177.5 Ų77.576%0.75837%0.369SS*.THydrogen-bonded Turntrans-73.1-19.1177.7-56.4171.2-62.1175.26.1112.3D90D90-R92 PolarHBondContact O-N 2.75Å; D90-R92 VanDerWaalsContact OD1-CB 3.29Å; D90-R92 WeakPolarHBondContact OD1-CB 3.39Å; D90-R92 IonicContact OD1-CZ 3.78Å; D90-R92 PolarHBondContact OD1-N 2.87Å; D90-R92 IonicContact OD1-NE 2.99Å; D90-R92 PolarHBondContact OD1-NE 2.82Å; D90-R92 IonicContact OD1-NH2 3.67Å; D90-R92 IonicContact OD2-CZ 3.74Å; D90-R92 IonicContact OD2-NE 3.61Å; D90-R92 IonicContact OD2-NH2 2.98Å; D90-R92 PolarHBondContact OD2-NH2 3.13Å
93K95.9Very high96Very high90 Ų9078.7 Ų78.739%0.39138%0.375SS..  trans-85.6118.5178.9-64.3-174.8-176.9-178.90110.4L50 S87 D90 E91 Y95L50-K93 HydrophobicContact CD1-CB 3.82Å; L50-K93 HydrophobicContact CD1-CD 4.44Å; L50-K93 HydrophobicContact CD1-CG 4.1Å; S87-K93 PolarHBondContact N-O 2.99Å; D90-K93 HydrophobicContact CB-CD 4.13Å; D90-K93 HydrophobicContact CB-CG 4.11Å; D90-K93 WeakPolarHBondContact O-CB 3.1Å; D90-K93 PolarHBondContact O-N 2.75Å; E91-K93 PolarHBondContact O-N 3.33Å; K93-Y95 HydrophobicContact CB-CE2 3.98Å
94I97.3Very high95.9Very high50 Ų5081.4 Ų81.426%0.25639%0.394SS..EExtended strand (participates in β ladder)trans-110.8128.6174.2-61.2169.3000107.5M51 K84M51-I94 HydrophobicContact CB-CB 4.33Å; M51-I94 HydrophobicContact CB-CG2 4.47Å; M51-I94 VanDerWaalsContact CB-O 3.24Å; M51-I94 WeakPolarHBondContact CB-O 3.2Å; M51-I94 HydrophobicContact CE-CG2 4.2Å; M51-I94 PolarHBondContact N-O 3.24Å; K84-I94 HydrophobicContact CB-CG2 4.3Å
95Y97.8Very high96Very high65 Ų6577.4 Ų77.426%0.25538%0.377SS..EExtended strand (participates in β ladder)trans-105.7146173.7-65.9-98.2000109.8K48 V49 L50 K84 V85 K93K48-Y95 HydrophobicContact CB-CD1 4.16Å; K48-Y95 HydrophobicContact CB-CG 4.44Å; V49-Y95 CarbonylContact O-C 3.49Å; V49-Y95 WeakPolarHBondContact O-CA 3.46Å; L50-Y95 HydrophobicContact CB-CD1 4.33Å; L50-Y95 HydrophobicContact CB-CE1 4.09Å; L50-Y95 HydrophobicContact CD1-CE1 4.28Å; L50-Y95 HydrophobicContact CD1-CE2 4.19Å; K84-Y95 CarbonylContact C-O 3.52Å; K84-Y95 VanDerWaalsContact CA-O 3.24Å; K84-Y95 WeakPolarHBondContact CA-O 3.22Å; V85-Y95 PolarHBondContact N-O 3.4Å; V85-Y95 PolarHBondContact O-N 3.01Å; K93-Y95 HydrophobicContact CB-CE2 3.98Å
96I97.8Very high96Very high0 Ų075.9 Ų75.90%037%0.366CS..EExtended strand (participates in β ladder)trans-114.9151.1169.359.1171.4000109.7T40 V49 M51 F54 L82 S83 K84T40-I96 HydrophobicContact CG2-CD1 4.39Å; V49-I96 PolarHBondContact N-O 3.05Å; V49-I96 PolarHBondContact O-N 3.14Å; M51-I96 HydrophobicContact CE-CG2 3.26Å; M51-I96 HydrophobicContact SD-CD1 4.49Å; M51-I96 HydrophobicContact SD-CG2 3.92Å; F54-I96 HydrophobicContact CB-CD1 3.82Å; F54-I96 HydrophobicContact CB-CG1 4.47Å; F54-I96 HydrophobicContact CD1-CD1 3.43Å; F54-I96 VanDerWaalsContact CD1-CD1 3.43Å; F54-I96 HydrophobicContact CD2-CD1 3.96Å; F54-I96 HydrophobicContact CE1-CD1 3.94Å; F54-I96 HydrophobicContact CE2-CD1 4.41Å; F54-I96 HydrophobicContact CG-CD1 3.44Å; F54-I96 VanDerWaalsContact CG-CD1 3.44Å; F54-I96 HydrophobicContact CZ-CD1 4.41Å; L82-I96 HydrophobicContact CD1-CB 4.08Å; L82-I96 HydrophobicContact CD2-CB 4.43Å; L82-I96 HydrophobicContact CD2-CD1 4.45Å; L82-I96 HydrophobicContact CD2-CG2 4.31Å; L82-I96 HydrophobicContact CG-CB 4.47Å; S83-I96 VanDerWaalsContact O-CA 3.26Å; S83-I96 WeakPolarHBondContact O-CA 3.32Å; K84-I96 HydrophobicContact CB-CG2 4.35Å
97Y98Very high96Very high63 Ų6372.9 Ų72.925%0.24736%0.361CS..EExtended strand (participates in β ladder)trans-161163.5-179.664.8-74.4000109.9K48 L82 S83 V85 N99K48-Y97 HydrophobicContact CG-CD1 4.12Å; K48-Y97 HydrophobicContact CG-CG 4Å; L82-Y97 WeakPolarHBondContact CD1-O 3.38Å; S83-Y97 WeakPolarHBondContact CA-O 3.41Å; S83-Y97 VanDerWaalsContact CB-CE1 3.44Å; S83-Y97 WeakPolarHBondContact CB-O 3.32Å; S83-Y97 PolarHBondContact N-O 3.44Å; S83-Y97 PolarHBondContact O-N 2.99Å; V85-Y97 HydrophobicContact CB-CE1 4.08Å; V85-Y97 HydrophobicContact CG1-CD1 4.22Å; V85-Y97 HydrophobicContact CG1-CE1 3.9Å; Y97-N99 HydrophobicContact CD2-CB 4.47Å; Y97-N99 HydrophobicContact CE2-CB 4.06Å
98L97.8Very high96Very high10 Ų1074.3 Ų74.35%0.05237%0.374CS..  trans-104.4124.4168.2-61.7171.9000109T40 M41 C44 R81 L82 D102 I103T40-L98 WeakPolarHBondContact O-CD1 3.42Å; M41-L98 VanDerWaalsContact CA-CD1 3.48Å; M41-L98 HydrophobicContact CB-CD1 4.13Å; M41-L98 HydrophobicContact SD-CD1 3.69Å; C44-L98 PolarHBondContact O-N 3.35Å; R81-L98 WeakPolarHBondContact O-CD2 3.33Å; L82-L98 HydrophobicContact CD1-CD2 3.98Å; L98-D102 HydrophobicContact CB-CB 4.1Å; L98-D102 HydrophobicContact CD2-CB 3.72Å; L98-I103 HydrophobicContact CB-CD1 4.4Å; L98-I103 HydrophobicContact CB-CG1 3.87Å; L98-I103 HydrophobicContact CD1-CG1 4.49Å
99N96.6Very high96.1Very high53 Ų5368.4 Ų68.428%0.28333%0.333SS..  trans-86.5175.9167.373.448.1000110.3S83 Y97 D101 D102 I103S83-N99 PolarHBondContact OG-ND2 3.09Å; Y97-N99 HydrophobicContact CD2-CB 4.47Å; Y97-N99 HydrophobicContact CE2-CB 4.06Å; N99-D101 VanDerWaalsContact C-N 3.27Å; N99-D101 PolarHBondContact O-N 2.92Å; N99-D101 WeakPolarHBondContact OD1-CA 3.35Å; N99-D101 VanDerWaalsContact OD1-CB 3.26Å; N99-D101 WeakPolarHBondContact OD1-CB 3.26Å; N99-D101 PolarHBondContact OD1-N 3.41Å; N99-D102 VanDerWaalsContact CG-OD2 3.22Å; N99-D102 PolarHBondContact N-OD2 2.94Å; N99-D102 PolarHBondContact ND2-OD2 2.91Å; N99-D102 VanDerWaalsContact ND2-OD2 3.08Å; N99-D102 WeakPolarHBondContact O-CB 3.11Å; N99-D102 PolarHBondContact O-N 2.75Å; N99-D102 VanDerWaalsContact O-N 3.17Å; N99-D102 PolarHBondContact OD1-N 3.35Å; N99-I103 WeakPolarHBondContact O-CG1 3.41Å; N99-I103 PolarHBondContact O-N 3.08Å
100N95.9Very high96.2Very high136 Ų13661.1 Ų61.173%0.72730%0.301SS*.Hα-helixtrans-61.3-33.1-178.2-68.3-17.3000113.9S104N100-S104 WeakPolarHBondContact O-CB 3.45Å; N100-S104 PolarHBondContact O-N 3.39Å; N100-S104 PolarHBondContact O-OG 3.17Å
101D96.9Very high96.3Very high79 Ų7964.6 Ų64.642%0.42232%0.316SS..Hα-helixtrans-71.1-43.317517860.2000110.9N99 I103 S104 K105N99-D101 VanDerWaalsContact C-N 3.27Å; N99-D101 PolarHBondContact O-N 2.92Å; N99-D101 WeakPolarHBondContact OD1-CA 3.35Å; N99-D101 VanDerWaalsContact OD1-CB 3.26Å; N99-D101 WeakPolarHBondContact OD1-CB 3.26Å; N99-D101 PolarHBondContact OD1-N 3.41Å; D101-I103 VanDerWaalsContact C-N 3.29Å; D101-I103 PolarHBondContact O-N 3.39Å; D101-S104 PolarHBondContact O-N 2.9Å; D101-K105 VanDerWaalsContact O-CB 3.3Å; D101-K105 WeakPolarHBondContact O-CB 3.35Å; D101-K105 WeakPolarHBondContact O-CG 3.33Å; D101-K105 PolarHBondContact O-N 3.15Å; D101-K105 WeakPolarHBondContact OD1-CE 3.26Å; D101-K105 IonicContact OD1-NZ 2.94Å; D101-K105 WeakPolarHBondContact OD2-CE 3.41Å; D101-K105 IonicContact OD2-NZ 3.89Å; D101-K105 PolarHBondContact OD2-NZ 3.07Å
102D97.3Very high96.6Very high4 Ų458.8 Ų58.82%0.02129%0.29CS..Hα-helixtrans-56.5-44.7173.7-61.6-40.5000111L82 S83 L98 N99 K105 F106L82-D102 PolarHBondContact N-OD1 2.8Å; S83-D102 WeakPolarHBondContact CB-OD2 3.46Å; S83-D102 PolarHBondContact N-OD2 3.28Å; S83-D102 PolarHBondContact OG-OD2 2.67Å; L98-D102 HydrophobicContact CB-CB 4.1Å; L98-D102 HydrophobicContact CD2-CB 3.72Å; N99-D102 VanDerWaalsContact CG-OD2 3.22Å; N99-D102 PolarHBondContact N-OD2 2.94Å; N99-D102 PolarHBondContact ND2-OD2 2.91Å; N99-D102 VanDerWaalsContact ND2-OD2 3.08Å; N99-D102 WeakPolarHBondContact O-CB 3.11Å; N99-D102 PolarHBondContact O-N 2.75Å; N99-D102 VanDerWaalsContact O-N 3.17Å; N99-D102 PolarHBondContact OD1-N 3.35Å; D102-K105 PolarHBondContact O-N 2.94Å; D102-F106 WeakPolarHBondContact O-CB 3.35Å; D102-F106 PolarHBondContact O-N 3.2Å
103I97Very high96.6Very high28 Ų2849.8 Ų49.814%0.14426%0.257CS..Hα-helixtrans-65.8-42.9177.9-66.1168000111.4M41 K45 L98 N99 D101 K105 F106 N107M41-I103 HydrophobicContact CE-CG2 3.99Å; M41-I103 HydrophobicContact SD-CG1 4.35Å; K45-I103 HydrophobicContact CG-CD1 4Å; L98-I103 HydrophobicContact CB-CD1 4.4Å; L98-I103 HydrophobicContact CB-CG1 3.87Å; L98-I103 HydrophobicContact CD1-CG1 4.49Å; N99-I103 WeakPolarHBondContact O-CG1 3.41Å; N99-I103 PolarHBondContact O-N 3.08Å; D101-I103 VanDerWaalsContact C-N 3.29Å; D101-I103 PolarHBondContact O-N 3.39Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 2.65Å; I103-F106 WeakPolarHBondContact O-CB 3.12Å; I103-F106 PolarHBondContact O-N 3.3Å; I103-N107 PolarHBondContact O-N 3.02Å; I103-N107 PolarHBondContact O-ND2 3.03Å
104S97Very high96.5Very high73 Ų7350.1 Ų50.151%0.5126%0.26SS..Hα-helixtrans-63.4-43.1178.5-59.40000110.8N100 D101 N107 A108N100-S104 WeakPolarHBondContact O-CB 3.45Å; N100-S104 PolarHBondContact O-N 3.39Å; N100-S104 PolarHBondContact O-OG 3.17Å; D101-S104 PolarHBondContact O-N 2.9Å; S104-N107 PolarHBondContact O-N 2.97Å; S104-A108 WeakPolarHBondContact O-CB 3.38Å; S104-A108 PolarHBondContact O-N 3.23Å
105K97.1Very high96.3Very high43 Ų4353.8 Ų53.819%0.18728%0.276CS..Hα-helixtrans-64.3-37.5173.9-77.9172.3176.9168.90112.1E80 R81 D101 D102 I103 L109E80-K105 WeakPolarHBondContact O-CD 3.49Å; E80-K105 PolarHBondContact O-NZ 3.24Å; E80-K105 VanDerWaalsContact O-NZ 3.15Å; E80-K105 IonicContact OE2-NZ 2.67Å; E80-K105 PolarHBondContact OE2-NZ 3.06Å; R81-K105 PolarHBondContact NH1-O 2.86Å; D101-K105 VanDerWaalsContact O-CB 3.3Å; D101-K105 WeakPolarHBondContact O-CB 3.35Å; D101-K105 WeakPolarHBondContact O-CG 3.33Å; D101-K105 PolarHBondContact O-N 3.15Å; D101-K105 WeakPolarHBondContact OD1-CE 3.26Å; D101-K105 IonicContact OD1-NZ 2.94Å; D101-K105 WeakPolarHBondContact OD2-CE 3.41Å; D101-K105 IonicContact OD2-NZ 3.89Å; D101-K105 PolarHBondContact OD2-NZ 3.07Å; D102-K105 PolarHBondContact O-N 2.94Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 2.65Å; K105-L109 WeakPolarHBondContact O-CB 3.24Å; K105-L109 PolarHBondContact O-N 3.35Å; K105-L109 VanDerWaalsContact O-N 3.1Å
106F96.7Very high96.1Very high19 Ų1954.4 Ų54.48%0.08328%0.281CS..Hα-helixtrans-58.5-57.1173.4176.3-83.5000110.5L37 M41 D102 I103 A108 L109 F110L37-F106 HydrophobicContact CD1-CD2 4.14Å; L37-F106 HydrophobicContact CD2-CD2 4.07Å; L37-F106 HydrophobicContact CG-CD2 3.66Å; L37-F106 HydrophobicContact CG-CE2 4.02Å; M41-F106 HydrophobicContact CB-CD2 4.03Å; M41-F106 HydrophobicContact CB-CE1 4.32Å; M41-F106 HydrophobicContact CB-CE2 3.62Å; M41-F106 HydrophobicContact CB-CZ 3.79Å; M41-F106 HydrophobicContact CE-CD1 4.23Å; M41-F106 HydrophobicContact CE-CE1 4.49Å; M41-F106 HydrophobicContact CG-CD1 4.14Å; M41-F106 HydrophobicContact CG-CD2 4.33Å; M41-F106 HydrophobicContact CG-CE1 3.85Å; M41-F106 HydrophobicContact CG-CE2 4.06Å; M41-F106 HydrophobicContact CG-CG 4.4Å; M41-F106 HydrophobicContact CG-CZ 3.82Å; M41-F106 HydrophobicContact SD-CD1 4.3Å; M41-F106 HydrophobicContact SD-CG 4.39Å; D102-F106 WeakPolarHBondContact O-CB 3.35Å; D102-F106 PolarHBondContact O-N 3.2Å; I103-F106 WeakPolarHBondContact O-CB 3.12Å; I103-F106 PolarHBondContact O-N 3.3Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 3.42Å; F106-L109 PolarHBondContact O-N 2.92Å; F106-F110 HydrophobicContact CD1-CD2 4.16Å; F106-F110 AromaticContact CD2-CD2 3.99Å; F106-F110 HydrophobicContact CD2-CD2 3.99Å; F106-F110 AromaticContact CD2-CE2 3.8Å; F106-F110 HydrophobicContact CD2-CE2 3.8Å; F106-F110 AromaticContact CE1-CD2 3.83Å; F106-F110 HydrophobicContact CE1-CD2 3.83Å; F106-F110 HydrophobicContact CE1-CE2 4.24Å; F106-F110 HydrophobicContact CE1-CG 4.27Å; F106-F110 AromaticContact CE2-CD2 3.65Å; F106-F110 HydrophobicContact CE2-CD2 3.65Å; F106-F110 AromaticContact CE2-CE2 3.23Å; F106-F110 HydrophobicContact CE2-CE2 3.23Å; F106-F110 AromaticContact CE2-CZ 3.95Å; F106-F110 HydrophobicContact CE2-CZ 3.95Å; F106-F110 HydrophobicContact CG-CD2 4.21Å; F106-F110 HydrophobicContact CG-CE2 4.47Å; F106-F110 AromaticContact CZ-CD2 3.55Å; F106-F110 HydrophobicContact CZ-CD2 3.55Å; F106-F110 AromaticContact CZ-CE2 3.49Å; F106-F110 HydrophobicContact CZ-CE2 3.49Å; F106-F110 VanDerWaalsContact CZ-CE2 3.49Å; F106-F110 HydrophobicContact CZ-CG 4.14Å; F106-F110 HydrophobicContact CZ-CZ 4.02Å; F106-F110 WeakPolarHBondContact O-CD2 3.22Å; F106-F110 PolarHBondContact O-N 3.26Å
107N96.6Very high95.7Very high81 Ų8157.4 Ų57.443%0.43330%0.296SS..Hα-helixtrans-58-46.8-177-66.7-26.6000111.1I103 S104 L109 F110 E111I103-N107 PolarHBondContact O-N 3.02Å; I103-N107 PolarHBondContact O-ND2 3.03Å; S104-N107 PolarHBondContact O-N 2.97Å; N107-L109 VanDerWaalsContact C-N 3.28Å; N107-L109 PolarHBondContact O-N 3.28Å; N107-F110 PolarHBondContact O-N 2.94Å; N107-E111 VanDerWaalsContact O-CB 3.31Å; N107-E111 WeakPolarHBondContact O-CB 3.19Å; N107-E111 PolarHBondContact O-N 3.47Å
108A96.5Very high95.2Very high54 Ų5461.5 Ų61.545%0.44632%0.322SS..Hα-helixtrans-63.7-30.8178.800000113.6S104 F106 D112S104-A108 WeakPolarHBondContact O-CB 3.38Å; S104-A108 PolarHBondContact O-N 3.23Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 3.42Å; A108-D112 VanDerWaalsContact O-CB 3.3Å; A108-D112 WeakPolarHBondContact O-CB 3.26Å; A108-D112 PolarHBondContact O-N 2.83Å
109L96.2Very high94.3Very high0 Ų068.9 Ų68.90%036%0.36CS..Hα-helixtrans-71.8-47.8175.1-177.8155.8000110.7Y27 L29 L34 L37 K105 F106 N107 D112 V113Y27-L109 HydrophobicContact CD1-CD1 4.11Å; Y27-L109 HydrophobicContact CD2-CD1 4.4Å; Y27-L109 HydrophobicContact CD2-CG 4.44Å; Y27-L109 HydrophobicContact CE1-CD1 4.38Å; Y27-L109 HydrophobicContact CE1-CG 4.36Å; Y27-L109 HydrophobicContact CE2-CG 4.27Å; Y27-L109 HydrophobicContact CG-CD1 4.11Å; L29-L109 HydrophobicContact CD1-CD1 3.91Å; L34-L109 HydrophobicContact CD1-CD2 4.34Å; L34-L109 HydrophobicContact CD2-CD2 4.15Å; L34-L109 HydrophobicContact CG-CD2 4Å; L37-L109 HydrophobicContact CD2-CD1 4.46Å; K105-L109 WeakPolarHBondContact O-CB 3.24Å; K105-L109 PolarHBondContact O-N 3.35Å; K105-L109 VanDerWaalsContact O-N 3.1Å; F106-L109 PolarHBondContact O-N 2.92Å; N107-L109 VanDerWaalsContact C-N 3.28Å; N107-L109 PolarHBondContact O-N 3.28Å; L109-D112 PolarHBondContact O-N 2.85Å; L109-V113 HydrophobicContact CD2-CG2 4.1Å; L109-V113 VanDerWaalsContact O-CG2 3.28Å; L109-V113 WeakPolarHBondContact O-CG2 3.45Å; L109-V113 PolarHBondContact O-N 2.83Å
110F95Very high94.2Very high49 Ų4969.7 Ų69.722%0.21536%0.364CS..Hα-helixtrans-70.7-38.1-176.4-84.3-95.2000112.1L34 L37 D38 F106 N107 D112 V113 E114L34-F110 HydrophobicContact CB-CZ 4.48Å; L37-F110 HydrophobicContact CD2-CE2 4.27Å; D38-F110 HydrophobicContact CB-CZ 4.28Å; F106-F110 HydrophobicContact CD1-CD2 4.16Å; F106-F110 AromaticContact CD2-CD2 3.99Å; F106-F110 HydrophobicContact CD2-CD2 3.99Å; F106-F110 AromaticContact CD2-CE2 3.8Å; F106-F110 HydrophobicContact CD2-CE2 3.8Å; F106-F110 AromaticContact CE1-CD2 3.83Å; F106-F110 HydrophobicContact CE1-CD2 3.83Å; F106-F110 HydrophobicContact CE1-CE2 4.24Å; F106-F110 HydrophobicContact CE1-CG 4.27Å; F106-F110 AromaticContact CE2-CD2 3.65Å; F106-F110 HydrophobicContact CE2-CD2 3.65Å; F106-F110 AromaticContact CE2-CE2 3.23Å; F106-F110 HydrophobicContact CE2-CE2 3.23Å; F106-F110 AromaticContact CE2-CZ 3.95Å; F106-F110 HydrophobicContact CE2-CZ 3.95Å; F106-F110 HydrophobicContact CG-CD2 4.21Å; F106-F110 HydrophobicContact CG-CE2 4.47Å; F106-F110 AromaticContact CZ-CD2 3.55Å; F106-F110 HydrophobicContact CZ-CD2 3.55Å; F106-F110 AromaticContact CZ-CE2 3.49Å; F106-F110 HydrophobicContact CZ-CE2 3.49Å; F106-F110 VanDerWaalsContact CZ-CE2 3.49Å; F106-F110 HydrophobicContact CZ-CG 4.14Å; F106-F110 HydrophobicContact CZ-CZ 4.02Å; F106-F110 WeakPolarHBondContact O-CD2 3.22Å; F106-F110 PolarHBondContact O-N 3.26Å; N107-F110 PolarHBondContact O-N 2.94Å; F110-D112 VanDerWaalsContact C-N 3.31Å; F110-D112 PolarHBondContact O-N 2.82Å; F110-V113 PolarHBondContact O-N 2.83Å; F110-V113 VanDerWaalsContact O-N 3.14Å; F110-E114 WeakPolarHBondContact O-CG 3.32Å; F110-E114 PolarHBondContact O-N 3.16Å
111E95.6Very high94.1Very high111 Ų11166.2 Ų66.252%0.51935%0.345SS..Hα-helixtrans-59.6-42.3171.9-175.8-179.4178.800111.5N107 V113 E114 Q115N107-E111 VanDerWaalsContact O-CB 3.31Å; N107-E111 WeakPolarHBondContact O-CB 3.19Å; N107-E111 PolarHBondContact O-N 3.47Å; E111-V113 VanDerWaalsContact C-N 3.31Å; E111-V113 PolarHBondContact O-N 2.87Å; E111-E114 PolarHBondContact O-N 3.37Å; E111-Q115 VanDerWaalsContact O-CG 3.29Å; E111-Q115 WeakPolarHBondContact O-CG 3.29Å; E111-Q115 PolarHBondContact O-N 2.98Å
112D96.4Very high94Very high26 Ų2665.4 Ų65.414%0.13934%0.34CS..Hα-helixtrans-65.3-34.4176.3-177.771.5000112.9Y22 K26 Y27 A108 L109 F110 F116Y22-D112 WeakPolarHBondContact CE1-OD2 3.39Å; Y22-D112 VanDerWaalsContact OH-CG 3.23Å; Y22-D112 PolarHBondContact OH-OD1 3.33Å; Y22-D112 PolarHBondContact OH-OD2 3.49Å; K26-D112 WeakPolarHBondContact CD-OD2 3.29Å; K26-D112 WeakPolarHBondContact CE-OD2 3.24Å; K26-D112 IonicContact NZ-OD1 3.75Å; K26-D112 PolarHBondContact NZ-OD1 3.01Å; K26-D112 IonicContact NZ-OD2 3.76Å; K26-D112 PolarHBondContact NZ-OD2 3.36Å; Y27-D112 WeakPolarHBondContact OH-CB 3.42Å; Y27-D112 VanDerWaalsContact OH-CG 3.27Å; Y27-D112 PolarHBondContact OH-OD2 3.47Å; A108-D112 VanDerWaalsContact O-CB 3.3Å; A108-D112 WeakPolarHBondContact O-CB 3.26Å; A108-D112 PolarHBondContact O-N 2.83Å; L109-D112 PolarHBondContact O-N 2.85Å; F110-D112 VanDerWaalsContact C-N 3.31Å; F110-D112 PolarHBondContact O-N 2.82Å; D112-F116 WeakPolarHBondContact O-CB 3.27Å; D112-F116 PolarHBondContact O-N 2.99Å
113V93.9Very high93.8Very high12 Ų1269.1 Ų69.17%0.07336%0.359CS..Hα-helixtrans-71.3-41.8175.9170.50000111.7L19 I23 L34 L109 F110 E111 Q115 F116 L117L19-V113 HydrophobicContact CD1-CG1 3.75Å; I23-V113 HydrophobicContact CD1-CG2 3.36Å; L34-V113 HydrophobicContact CD2-CG2 4.49Å; L109-V113 HydrophobicContact CD2-CG2 4.1Å; L109-V113 VanDerWaalsContact O-CG2 3.28Å; L109-V113 WeakPolarHBondContact O-CG2 3.45Å; L109-V113 PolarHBondContact O-N 2.83Å; F110-V113 PolarHBondContact O-N 2.83Å; F110-V113 VanDerWaalsContact O-N 3.14Å; E111-V113 VanDerWaalsContact C-N 3.31Å; E111-V113 PolarHBondContact O-N 2.87Å; V113-Q115 VanDerWaalsContact C-N 3.34Å; V113-F116 PolarHBondContact O-N 3Å; V113-L117 HydrophobicContact CG1-CD1 3.94Å; V113-L117 HydrophobicContact CG1-CG 4.41Å; V113-L117 WeakPolarHBondContact O-CB 3.13Å; V113-L117 WeakPolarHBondContact O-CG 3.13Å; V113-L117 PolarHBondContact O-N 2.89Å
114E92.4Very high93.6Very high97 Ų9771.6 Ų71.645%0.45337%0.373SS..Hα-helixtrans-58.4-48.2173.7-74.4173.8169.900110.3F110 E111 F116 L117 N118 I119F110-E114 WeakPolarHBondContact O-CG 3.32Å; F110-E114 PolarHBondContact O-N 3.16Å; E111-E114 PolarHBondContact O-N 3.37Å; E114-F116 VanDerWaalsContact C-N 3.35Å; E114-F116 PolarHBondContact O-N 3.37Å; E114-L117 CarbonylContact O-C 3.55Å; E114-L117 PolarHBondContact O-N 2.91Å; E114-N118 WeakPolarHBondContact O-CA 3.44Å; E114-N118 PolarHBondContact O-N 2.67Å; E114-I119 HydrophobicContact CB-CG1 4.24Å; E114-I119 HydrophobicContact CG-CG1 4.21Å; E114-I119 PolarHBondContact O-N 3.38Å; E114-I119 VanDerWaalsContact O-N 3.11Å
115Q94.3Very high93.3Very high126 Ų12671.5 Ų71.559%0.58936%0.363SS*.Hα-helixtrans-59.3-42.2174.4-71.5176.716.700112.6E111 V113 N118E111-Q115 VanDerWaalsContact O-CG 3.29Å; E111-Q115 WeakPolarHBondContact O-CG 3.29Å; E111-Q115 PolarHBondContact O-N 2.98Å; V113-Q115 VanDerWaalsContact C-N 3.34Å; Q115-N118 PolarHBondContact O-N 2.96Å
116F92.8Very high93.1Very high79 Ų7973.6 Ų73.635%0.34638%0.376SS..Hα-helixtrans-64.3-40.9177.5173-98.7000112.7A18 L19 Y22 D112 V113 E114 N118A18-F116 HydrophobicContact CB-CZ 4.24Å; L19-F116 HydrophobicContact CB-CE1 4.41Å; L19-F116 HydrophobicContact CD1-CD1 4.05Å; L19-F116 HydrophobicContact CD1-CE1 4.31Å; Y22-F116 HydrophobicContact CD1-CB 4.14Å; Y22-F116 AromaticContact CD1-CD1 3.97Å; Y22-F116 HydrophobicContact CD1-CD1 3.97Å; Y22-F116 HydrophobicContact CD1-CD2 4.03Å; Y22-F116 HydrophobicContact CD1-CE1 4.43Å; Y22-F116 HydrophobicContact CD1-CE2 4.47Å; Y22-F116 AromaticContact CD1-CG 3.75Å; Y22-F116 HydrophobicContact CD1-CG 3.75Å; Y22-F116 AromaticContact CD2-CD2 3.53Å; Y22-F116 HydrophobicContact CD2-CD2 3.53Å; Y22-F116 AromaticContact CD2-CE2 3.58Å; Y22-F116 HydrophobicContact CD2-CE2 3.58Å; Y22-F116 HydrophobicContact CD2-CG 4.13Å; Y22-F116 HydrophobicContact CD2-CZ 4.23Å; Y22-F116 HydrophobicContact CE1-CB 3.81Å; Y22-F116 HydrophobicContact CE1-CD2 4.17Å; Y22-F116 AromaticContact CE1-CG 3.9Å; Y22-F116 HydrophobicContact CE1-CG 3.9Å; Y22-F116 AromaticContact CE2-CD2 3.69Å; Y22-F116 HydrophobicContact CE2-CD2 3.69Å; Y22-F116 HydrophobicContact CE2-CE2 4.17Å; Y22-F116 HydrophobicContact CE2-CG 4.27Å; Y22-F116 HydrophobicContact CG-CD1 4.09Å; Y22-F116 AromaticContact CG-CD2 3.7Å; Y22-F116 HydrophobicContact CG-CD2 3.7Å; Y22-F116 HydrophobicContact CG-CE1 4.14Å; Y22-F116 AromaticContact CG-CE2 3.75Å; Y22-F116 HydrophobicContact CG-CE2 3.75Å; Y22-F116 AromaticContact CG-CG 3.87Å; Y22-F116 HydrophobicContact CG-CG 3.87Å; Y22-F116 AromaticContact CG-CZ 3.97Å; Y22-F116 HydrophobicContact CG-CZ 3.97Å; Y22-F116 AromaticContact CZ-CD2 4Å; D112-F116 WeakPolarHBondContact O-CB 3.27Å; D112-F116 PolarHBondContact O-N 2.99Å; V113-F116 PolarHBondContact O-N 3Å; E114-F116 VanDerWaalsContact C-N 3.35Å; E114-F116 PolarHBondContact O-N 3.37Å; F116-N118 VanDerWaalsContact C-N 3.25Å
117L89.2Confident92.8Very high63 Ų6377.8 Ų77.833%0.3340%0.399SS..Hα-helixtrans-79.5-11.5178-67.4177.2000112.8L19 V113 E114 I119L19-L117 HydrophobicContact CB-CD2 4.27Å; L19-L117 HydrophobicContact CD1-CD1 4.24Å; L19-L117 HydrophobicContact CD1-CD2 4.15Å; L19-L117 HydrophobicContact CD1-CG 4.21Å; L19-L117 HydrophobicContact CD2-CD1 4.12Å; L19-L117 HydrophobicContact CD2-CD2 4.44Å; V113-L117 HydrophobicContact CG1-CD1 3.94Å; V113-L117 HydrophobicContact CG1-CG 4.41Å; V113-L117 WeakPolarHBondContact O-CB 3.13Å; V113-L117 WeakPolarHBondContact O-CG 3.13Å; V113-L117 PolarHBondContact O-N 2.89Å; E114-L117 CarbonylContact O-C 3.55Å; E114-L117 PolarHBondContact O-N 2.91Å; L117-I119 VanDerWaalsContact C-N 3.32Å; L117-I119 HydrophobicContact CB-CD1 4.12Å; L117-I119 HydrophobicContact CB-CG1 3.95Å; L117-I119 HydrophobicContact CB-CG2 4.26Å; L117-I119 HydrophobicContact CD1-CD1 3.95Å
118N87.8Confident92.5Very high148 Ų14877.5 Ų77.579%0.79140%0.396SS*.THydrogen-bonded Turntrans55.547.6-174.1-169.762.5000111.5E114 Q115 F116E114-N118 WeakPolarHBondContact O-CA 3.44Å; E114-N118 PolarHBondContact O-N 2.67Å; Q115-N118 PolarHBondContact O-N 2.96Å; F116-N118 VanDerWaalsContact C-N 3.25Å
119I79.4Confident92.1Very high165 Ų16579.6 Ų79.685%0.84639%0.391SS*.  trans-117.90175.762.3177.4000111.4E114 L117E114-I119 HydrophobicContact CB-CG1 4.24Å; E114-I119 HydrophobicContact CG-CG1 4.21Å; E114-I119 PolarHBondContact O-N 3.38Å; E114-I119 VanDerWaalsContact O-N 3.11Å; L117-I119 VanDerWaalsContact C-N 3.32Å; L117-I119 HydrophobicContact CB-CD1 4.12Å; L117-I119 HydrophobicContact CB-CG1 3.95Å; L117-I119 HydrophobicContact CB-CG2 4.26Å; L117-I119 HydrophobicContact CD1-CD1 3.95Å

Retrieved 119 of 119 residues in 79.9 ms (Link to these results)

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